N-[4-[[2-(3-methylbutyl)-4-nitro-phenyl]sulfonylamino]-2-oxidanyl-1-phenyl-butan-2-yl]-N-(phenylmethyl)carbamate

Systemtic Name: N-[4-[[2-(3-methylbutyl)-4-nitro-phenyl]sulfonylamino]-2-oxidanyl-1-phenyl-butan-2-yl]-N-(phenylmethyl)carbamate Openeye Name: N-benzyl-N-[1-benzyl-1-hydroxy-3-[(2-isopentyl-4-nitro-phenyl)sulfonylamino]propyl]carbamate CAS Name: N-[2-hydroxy-4-[[2-(3-methylbutyl)-4-nitrophenyl]sulfonylamino]-1-phenylbutan-2-yl]-N-(phenylmethyl)carbamate IUPAC Name: N-benzyl-N-[2-hydroxy-4-[[2-(3-methylbutyl)-4-nitrophenyl]sulfonylamino]-1-phenylbutan-2-yl]carbamate Traditional Name: N-benzyl-N-[1-benzyl-1-hydroxy-3-[(2-isoamyl-4-nitro-phenyl)sulfonylamino]propyl]carbamate Formula: C29H34N3O7S- MolecularWeight: 568.66116

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1=C(C=CC(=C1)[N+](=O)[O-])S(=O)(=O)NCCC(CC2=CC=CC=C2)(N(CC3=CC=CC=C3)C(=O)[O-])O

Isomeric SMILES

CC(C)CCC1=C(C=CC(=C1)[N+](=O)[O-])S(=O)(=O)NCCC(CC2=CC=CC=C2)(N(CC3=CC=CC=C3)C(=O)[O-])O

InChI

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