3-(4-methyl-4-oxidanyl-cyclohexen-1-yl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide

Systemtic Name: 3-(4-methyl-4-oxidanyl-cyclohexen-1-yl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide Openeye Name: 3-(4-hydroxy-4-methyl-cyclohexen-1-yl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide CAS Name: 3-(4-hydroxy-4-methyl-1-cyclohexenyl)-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonylbenzamide IUPAC Name: 3-(4-hydroxy-4-methylcyclohexen-1-yl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonylbenzamide Traditional Name: 3-(4-hydroxy-4-methyl-cyclohexen-1-yl)-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonyl-benzamide Formula: C28H29N3O6S2 MolecularWeight: 567.67636

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(=CC1)C2=CC(=CC=C2)C(=O)NS(=O)(=O)C3=CC(=C(C=C3)NCCSC4=CC=CC=C4)[N+](=O)[O-])O

Isomeric SMILES

CC1(CCC(=CC1)C2=CC(=CC=C2)C(=O)NS(=O)(=O)C3=CC(=C(C=C3)NCCSC4=CC=CC=C4)[N+](=O)[O-])O

InChI

InChI=1S/C28H29N3O6S2/c1-28(33)14-12-20(13-15-28)21-6-5-7-22(18-21)27(32)30-39(36,37)24-10-11-25(26(19-24)31(34)35)29-16-17-38-23-8-3-2-4-9-23/h2-12,18-19,29,33H,13-17H2,1H3,(H,30,32)