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

Systemtic Name: 4-(4,4-dimethylpiperidin-1-yl)-N-[4-[(2-methyl-1-phenylsulfanyl-propan-2-yl)amino]-3-nitro-phenyl]sulfonyl-benzamide Openeye Name: N-[4-[(1,1-dimethyl-2-phenylsulfanyl-ethyl)amino]-3-nitro-phenyl]sulfonyl-4-(4,4-dimethyl-1-piperidyl)benzamide CAS Name: 4-(4,4-dimethyl-1-piperidinyl)-N-[4-[[2-methyl-1-(phenylthio)propan-2-yl]amino]-3-nitrophenyl]sulfonylbenzamide IUPAC Name: 4-(4,4-dimethylpiperidin-1-yl)-N-[4-[(2-methyl-1-phenylsulfanylpropan-2-yl)amino]-3-nitrophenyl]sulfonylbenzamide Traditional Name: N-[4-[[1,1-dimethyl-2-(phenylthio)ethyl]amino]-3-nitro-phenyl]sulfonyl-4-(4,4-dimethylpiperidino)benzamide Formula: C30H36N4O5S2 MolecularWeight: 596.76064

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCN(CC1)C2=CC=C(C=C2)C(=O)NS(=O)(=O)C3=CC(=C(C=C3)NC(C)(C)CSC4=CC=CC=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1(CCN(CC1)C2=CC=C(C=C2)C(=O)NS(=O)(=O)C3=CC(=C(C=C3)NC(C)(C)CSC4=CC=CC=C4)[N+](=O)[O-])C

InChI

InChI=1S/C30H36N4O5S2/c1-29(2)16-18-33(19-17-29)23-12-10-22(11-13-23)28(35)32-41(38,39)25-14-15-26(27(20-25)34(36)37)31-30(3,4)21-40-24-8-6-5-7-9-24/h5-15,20,31H,16-19,21H2,1-4H3,(H,32,35)