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

Systemtic Name: (phenylmethyl) N-[4-[3-methylbutyl-(4-nitrophenyl)sulfonyl-amino]-3-oxidanyl-1-phenyl-butan-2-yl]carbamate Openeye Name: benzyl N-[1-benzyl-2-hydroxy-3-[isopentyl-(4-nitrophenyl)sulfonyl-amino]propyl]carbamate CAS Name: N-[3-hydroxy-4-[3-methylbutyl-(4-nitrophenyl)sulfonylamino]-1-phenylbutan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[3-hydroxy-4-[3-methylbutyl-(4-nitrophenyl)sulfonylamino]-1-phenylbutan-2-yl]carbamate Traditional Name: N-[1-benzyl-2-hydroxy-3-[isoamyl(nosyl)amino]propyl]carbamic acid benzyl ester Formula: C29H35N3O7S MolecularWeight: 569.6691

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(CC(C(CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2)O)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCN(CC(C(CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2)O)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C29H35N3O7S/c1-22(2)17-18-31(40(37,38)26-15-13-25(14-16-26)32(35)36)20-28(33)27(19-23-9-5-3-6-10-23)30-29(34)39-21-24-11-7-4-8-12-24/h3-16,22,27-28,33H,17-21H2,1-2H3,(H,30,34)