2-methylpropyl 4-[4-[[4-[(6-azanyl-1-phenylsulfanyl-hexan-2-yl)amino]-3-nitro-phenyl]sulfonylcarbamoyl]phenyl]piperazine-1-carboxylate

Systemtic Name: 2-methylpropyl 4-[4-[[4-[(6-azanyl-1-phenylsulfanyl-hexan-2-yl)amino]-3-nitro-phenyl]sulfonylcarbamoyl]phenyl]piperazine-1-carboxylate Openeye Name: isobutyl 4-[4-[[4-[[5-amino-1-(phenylsulfanylmethyl)pentyl]amino]-3-nitro-phenyl]sulfonylcarbamoyl]phenyl]piperazine-1-carboxylate CAS Name: 4-[4-[[[4-[[6-amino-1-(phenylthio)hexan-2-yl]amino]-3-nitrophenyl]sulfonylamino]-oxomethyl]phenyl]-1-piperazinecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[4-[[4-[(6-amino-1-phenylsulfanylhexan-2-yl)amino]-3-nitrophenyl]sulfonylcarbamoyl]phenyl]piperazine-1-carboxylate Traditional Name: 4-[4-[[4-[[5-amino-1-[(phenylthio)methyl]pentyl]amino]-3-nitro-phenyl]sulfonylcarbamoyl]phenyl]piperazine-1-carboxylic acid isobutyl ester Formula: C34H44N6O7S2 MolecularWeight: 712.87916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)N1CCN(CC1)C2=CC=C(C=C2)C(=O)NS(=O)(=O)C3=CC(=C(C=C3)NC(CCCCN)CSC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C)COC(=O)N1CCN(CC1)C2=CC=C(C=C2)C(=O)NS(=O)(=O)C3=CC(=C(C=C3)NC(CCCCN)CSC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C34H44N6O7S2/c1-25(2)23-47-34(42)39-20-18-38(19-21-39)28-13-11-26(12-14-28)33(41)37-49(45,46)30-15-16-31(32(22-30)40(43)44)36-27(8-6-7-17-35)24-48-29-9-4-3-5-10-29/h3-5,9-16,22,25,27,36H,6-8,17-21,23-24,35H2,1-2H3,(H,37,41)