4-[4-methoxy-4-(phenylmethyl)piperidin-1-yl]-N-[4-[(2-methyl-1-phenylsulfanyl-propan-2-yl)amino]-3-nitro-phenyl]sulfonyl-benzamide

Systemtic Name: 4-[4-methoxy-4-(phenylmethyl)piperidin-1-yl]-N-[4-[(2-methyl-1-phenylsulfanyl-propan-2-yl)amino]-3-nitro-phenyl]sulfonyl-benzamide Openeye Name: 4-(4-benzyl-4-methoxy-1-piperidyl)-N-[4-[(1,1-dimethyl-2-phenylsulfanyl-ethyl)amino]-3-nitro-phenyl]sulfonyl-benzamide CAS Name: 4-[4-methoxy-4-(phenylmethyl)-1-piperidinyl]-N-[4-[[2-methyl-1-(phenylthio)propan-2-yl]amino]-3-nitrophenyl]sulfonylbenzamide IUPAC Name: 4-(4-benzyl-4-methoxypiperidin-1-yl)-N-[4-[(2-methyl-1-phenylsulfanylpropan-2-yl)amino]-3-nitrophenyl]sulfonylbenzamide Traditional Name: 4-(4-benzyl-4-methoxy-piperidino)-N-[4-[[1,1-dimethyl-2-(phenylthio)ethyl]amino]-3-nitro-phenyl]sulfonyl-benzamide Formula: C36H40N4O6S2 MolecularWeight: 688.856

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)N4CCC(CC4)(CC5=CC=CC=C5)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C)(CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)N4CCC(CC4)(CC5=CC=CC=C5)OC)[N+](=O)[O-]

InChI

InChI=1S/C36H40N4O6S2/c1-35(2,26-47-30-12-8-5-9-13-30)37-32-19-18-31(24-33(32)40(42)43)48(44,45)38-34(41)28-14-16-29(17-15-28)39-22-20-36(46-3,21-23-39)25-27-10-6-4-7-11-27/h4-19,24,37H,20-23,25-26H2,1-3H3,(H,38,41)