[2-[2-methylpropyl-(4-nitrophenyl)sulfonyl-amino]-1-phenyl-butan-2-yl] carbamate

Systemtic Name: [2-[2-methylpropyl-(4-nitrophenyl)sulfonyl-amino]-1-phenyl-butan-2-yl] carbamate Openeye Name: [1-benzyl-1-[isobutyl-(4-nitrophenyl)sulfonyl-amino]propyl] carbamate CAS Name: carbamic acid [2-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]-1-phenylbutan-2-yl] ester IUPAC Name: [2-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]-1-phenylbutan-2-yl] carbamate Traditional Name: carbamic acid [1-benzyl-1-[isobutyl(nosyl)amino]propyl] ester Formula: C21H27N3O6S MolecularWeight: 449.52058

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC=CC=C1)(N(CC(C)C)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])OC(=O)N

Isomeric SMILES

CCC(CC1=CC=CC=C1)(N(CC(C)C)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])OC(=O)N

InChI

InChI=1S/C21H27N3O6S/c1-4-21(30-20(22)25,14-17-8-6-5-7-9-17)23(15-16(2)3)31(28,29)19-12-10-18(11-13-19)24(26)27/h5-13,16H,4,14-15H2,1-3H3,(H2,22,25)