[2-[3-methylbutyl-(4-nitrophenyl)sulfonyl-amino]-1-phenyl-butan-2-yl] carbamate

Systemtic Name: [2-[3-methylbutyl-(4-nitrophenyl)sulfonyl-amino]-1-phenyl-butan-2-yl] carbamate Openeye Name: [1-benzyl-1-[isopentyl-(4-nitrophenyl)sulfonyl-amino]propyl] carbamate CAS Name: carbamic acid [2-[3-methylbutyl-(4-nitrophenyl)sulfonylamino]-1-phenylbutan-2-yl] ester IUPAC Name: [2-[3-methylbutyl-(4-nitrophenyl)sulfonylamino]-1-phenylbutan-2-yl] carbamate Traditional Name: carbamic acid [1-benzyl-1-[isoamyl(nosyl)amino]propyl] ester Formula: C22H29N3O6S MolecularWeight: 463.54716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O6S/c1-4-22(31-21(23)26,16-18-8-6-5-7-9-18)24(15-14-17(2)3)32(29,30)20-12-10-19(11-13-20)25(27)28/h5-13,17H,4,14-16H2,1-3H3,(H2,23,26)