4-(4,4-dimethylcyclohexyl)-N-[4-[(1-morpholin-4-yl-3-phenylsulfanyl-propan-2-yl)amino]-3-nitro-phenyl]sulfonyl-benzamide

Systemtic Name: 4-(4,4-dimethylcyclohexyl)-N-[4-[(1-morpholin-4-yl-3-phenylsulfanyl-propan-2-yl)amino]-3-nitro-phenyl]sulfonyl-benzamide Openeye Name: 4-(4,4-dimethylcyclohexyl)-N-[4-[[1-(morpholinomethyl)-2-phenylsulfanyl-ethyl]amino]-3-nitro-phenyl]sulfonyl-benzamide CAS Name: 4-(4,4-dimethylcyclohexyl)-N-[4-[[1-(4-morpholinyl)-3-(phenylthio)propan-2-yl]amino]-3-nitrophenyl]sulfonylbenzamide IUPAC Name: 4-(4,4-dimethylcyclohexyl)-N-[4-[(1-morpholin-4-yl-3-phenylsulfanylpropan-2-yl)amino]-3-nitrophenyl]sulfonylbenzamide Traditional Name: 4-(4,4-dimethylcyclohexyl)-N-[4-[[1-(morpholinomethyl)-2-(phenylthio)ethyl]amino]-3-nitro-phenyl]sulfonyl-benzamide Formula: C34H42N4O6S2 MolecularWeight: 666.85048

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(CC1)C2=CC=C(C=C2)C(=O)NS(=O)(=O)C3=CC(=C(C=C3)NC(CN4CCOCC4)CSC5=CC=CC=C5)[N+](=O)[O-])C

Isomeric SMILES

CC1(CCC(CC1)C2=CC=C(C=C2)C(=O)NS(=O)(=O)C3=CC(=C(C=C3)NC(CN4CCOCC4)CSC5=CC=CC=C5)[N+](=O)[O-])C

InChI

InChI=1S/C34H42N4O6S2/c1-34(2)16-14-26(15-17-34)25-8-10-27(11-9-25)33(39)36-46(42,43)30-12-13-31(32(22-30)38(40)41)35-28(23-37-18-20-44-21-19-37)24-45-29-6-4-3-5-7-29/h3-13,22,26,28,35H,14-21,23-24H2,1-2H3,(H,36,39)