N1-[1-[[2-[[5,5-bis(fluoranyl)-2-methyl-4,6-bis(oxidanylidene)-6-(phenethylamino)hexan-3-yl]-cyclopentyl-amino]-2-oxidanylidene-ethyl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]-N4-(4-chlorophenyl)sulfonyl-benzene-1,4-dicarboxamide

Systemtic Name: N1-[1-[[2-[[5,5-bis(fluoranyl)-2-methyl-4,6-bis(oxidanylidene)-6-(phenethylamino)hexan-3-yl]-cyclopentyl-amino]-2-oxidanylidene-ethyl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]-N4-(4-chlorophenyl)sulfonyl-benzene-1,4-dicarboxamide Openeye Name: N4-(4-chlorophenyl)sulfonyl-N1-[1-[[2-[cyclopentyl-[3,3-difluoro-1-isopropyl-2,4-dioxo-4-(phenethylamino)butyl]amino]-2-oxo-ethyl]carbamoyl]-2-methyl-propyl]terephthalamide CAS Name: N4-(4-chlorophenyl)sulfonyl-N1-[1-[[2-[cyclopentyl-[5,5-difluoro-2-methyl-4,6-dioxo-6-(phenethylamino)hexan-3-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]benzene-1,4-dicarboxamide IUPAC Name: 4-N-(4-chlorophenyl)sulfonyl-1-N-[1-[[2-[cyclopentyl-[5,5-difluoro-2-methyl-4,6-dioxo-6-(phenethylamino)hexan-3-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]benzene-1,4-dicarboxamide Traditional Name: N'-(4-chlorophenyl)sulfonyl-N-[1-[[2-[cyclopentyl-[3,3-difluoro-1-isopropyl-2,4-diketo-4-(phenethylamino)butyl]amino]-2-keto-ethyl]carbamoyl]-2-methyl-propyl]terephthalamide Formula: C41H48ClF2N5O8S MolecularWeight: 844.363326

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC(=O)N(C1CCCC1)C(C(C)C)C(=O)C(C(=O)NCCC2=CC=CC=C2)(F)F)NC(=O)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC(C)C(C(=O)NCC(=O)N(C1CCCC1)C(C(C)C)C(=O)C(C(=O)NCCC2=CC=CC=C2)(F)F)NC(=O)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C41H48ClF2N5O8S/c1-25(2)34(47-37(52)28-14-16-29(17-15-28)38(53)48-58(56,57)32-20-18-30(42)19-21-32)39(54)46-24-33(50)49(31-12-8-9-13-31)35(26(3)4)36(51)41(43,44)40(55)45-23-22-27-10-6-5-7-11-27/h5-7,10-11,14-21,25-26,31,34-35H,8-9,12-13,22-24H2,1-4H3,(H,45,55)(H,46,54)(H,47,52)(H,48,53)