tert-butyl 4-[4-[[4-[(2-methyl-1-phenylsulfanyl-propan-2-yl)amino]-3-nitro-phenyl]sulfonylcarbamoyl]phenyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[[4-[(2-methyl-1-phenylsulfanyl-propan-2-yl)amino]-3-nitro-phenyl]sulfonylcarbamoyl]phenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-[[4-[(1,1-dimethyl-2-phenylsulfanyl-ethyl)amino]-3-nitro-phenyl]sulfonylcarbamoyl]phenyl]piperazine-1-carboxylate CAS Name: 4-[4-[[[4-[[2-methyl-1-(phenylthio)propan-2-yl]amino]-3-nitrophenyl]sulfonylamino]-oxomethyl]phenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[[4-[(2-methyl-1-phenylsulfanylpropan-2-yl)amino]-3-nitrophenyl]sulfonylcarbamoyl]phenyl]piperazine-1-carboxylate Traditional Name: 4-[4-[[4-[[1,1-dimethyl-2-(phenylthio)ethyl]amino]-3-nitro-phenyl]sulfonylcarbamoyl]phenyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C32H39N5O7S2 MolecularWeight: 669.81136

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(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-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(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-]

InChI

InChI=1S/C32H39N5O7S2/c1-31(2,3)44-30(39)36-19-17-35(18-20-36)24-13-11-23(12-14-24)29(38)34-46(42,43)26-15-16-27(28(21-26)37(40)41)33-32(4,5)22-45-25-9-7-6-8-10-25/h6-16,21,33H,17-20,22H2,1-5H3,(H,34,38)