N-[1-[[1-(3-chlorophenyl)sulfonyl-3-oxidanylidene-azepan-4-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]quinoxaline-2-carboxamide

Systemtic Name: N-[1-[[1-(3-chlorophenyl)sulfonyl-3-oxidanylidene-azepan-4-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]quinoxaline-2-carboxamide Openeye Name: N-[1-[[1-(3-chlorophenyl)sulfonyl-3-oxo-azepan-4-yl]carbamoyl]-3-methyl-butyl]quinoxaline-2-carboxamide CAS Name: N-[1-[[1-(3-chlorophenyl)sulfonyl-3-oxo-4-azepanyl]amino]-4-methyl-1-oxopentan-2-yl]-2-quinoxalinecarboxamide IUPAC Name: N-[1-[[1-(3-chlorophenyl)sulfonyl-3-oxoazepan-4-yl]amino]-4-methyl-1-oxopentan-2-yl]quinoxaline-2-carboxamide Traditional Name: N-[1-[[1-(3-chlorophenyl)sulfonyl-3-keto-azepan-4-yl]carbamoyl]-3-methyl-butyl]quinoxaline-2-carboxamide Formula: C27H30ClN5O5S MolecularWeight: 572.0756

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1CCCN(CC1=O)S(=O)(=O)C2=CC(=CC=C2)Cl)NC(=O)C3=NC4=CC=CC=C4N=C3

Isomeric SMILES

CC(C)CC(C(=O)NC1CCCN(CC1=O)S(=O)(=O)C2=CC(=CC=C2)Cl)NC(=O)C3=NC4=CC=CC=C4N=C3

InChI

InChI=1S/C27H30ClN5O5S/c1-17(2)13-23(32-27(36)24-15-29-20-9-3-4-10-21(20)30-24)26(35)31-22-11-6-12-33(16-25(22)34)39(37,38)19-8-5-7-18(28)14-19/h3-5,7-10,14-15,17,22-23H,6,11-13,16H2,1-2H3,(H,31,35)(H,32,36)