3-[2-[1-[[6-(4-chlorophenyl)sulfonyl-3,6-bis(fluoranyl)cyclohexa-2,4-dien-1-yl]amino]ethyl]-5-fluoranyl-phenyl]-N-(phenylmethyl)propanamide

Systemtic Name: 3-[2-[1-[[6-(4-chlorophenyl)sulfonyl-3,6-bis(fluoranyl)cyclohexa-2,4-dien-1-yl]amino]ethyl]-5-fluoranyl-phenyl]-N-(phenylmethyl)propanamide Openeye Name: N-benzyl-3-[2-[1-[[6-(4-chlorophenyl)sulfonyl-3,6-difluoro-cyclohexa-2,4-dien-1-yl]amino]ethyl]-5-fluoro-phenyl]propanamide CAS Name: 3-[2-[1-[[6-(4-chlorophenyl)sulfonyl-3,6-difluoro-1-cyclohexa-2,4-dienyl]amino]ethyl]-5-fluorophenyl]-N-(phenylmethyl)propanamide IUPAC Name: N-benzyl-3-[2-[1-[[6-(4-chlorophenyl)sulfonyl-3,6-difluorocyclohexa-2,4-dien-1-yl]amino]ethyl]-5-fluorophenyl]propanamide Traditional Name: N-benzyl-3-[2-[1-[[6-(4-chlorophenyl)sulfonyl-3,6-difluoro-cyclohexa-2,4-dien-1-yl]amino]ethyl]-5-fluoro-phenyl]propionamide Formula: C30H28ClF3N2O3S MolecularWeight: 589.06813

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=C(C=C1)F)CCC(=O)NCC2=CC=CC=C2)NC3C=C(C=CC3(F)S(=O)(=O)C4=CC=C(C=C4)Cl)F

Isomeric SMILES

CC(C1=C(C=C(C=C1)F)CCC(=O)NCC2=CC=CC=C2)NC3C=C(C=CC3(F)S(=O)(=O)C4=CC=C(C=C4)Cl)F

InChI

InChI=1S/C30H28ClF3N2O3S/c1-20(27-13-10-24(32)17-22(27)7-14-29(37)35-19-21-5-3-2-4-6-21)36-28-18-25(33)15-16-30(28,34)40(38,39)26-11-8-23(31)9-12-26/h2-6,8-13,15-18,20,28,36H,7,14,19H2,1H3,(H,35,37)