[4-[2-methylpropyl-(4-nitrophenyl)sulfonyl-amino]-2-oxidanyl-1-phenyl-butan-2-yl]-(phenylmethyl)carbamic acid

Systemtic Name: [4-[2-methylpropyl-(4-nitrophenyl)sulfonyl-amino]-2-oxidanyl-1-phenyl-butan-2-yl]-(phenylmethyl)carbamic acid Openeye Name: benzyl-[1-benzyl-1-hydroxy-3-[isobutyl-(4-nitrophenyl)sulfonyl-amino]propyl]carbamic acid CAS Name: [2-hydroxy-4-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]-1-phenylbutan-2-yl]-(phenylmethyl)carbamic acid IUPAC Name: benzyl-[2-hydroxy-4-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]-1-phenylbutan-2-yl]carbamic acid Traditional Name: benzyl-[1-benzyl-1-hydroxy-3-[isobutyl(nosyl)amino]propyl]carbamic acid Formula: C28H33N3O7S MolecularWeight: 555.64252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CCC(CC1=CC=CC=C1)(N(CC2=CC=CC=C2)C(=O)O)O)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)CN(CCC(CC1=CC=CC=C1)(N(CC2=CC=CC=C2)C(=O)O)O)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C28H33N3O7S/c1-22(2)20-29(39(37,38)26-15-13-25(14-16-26)31(35)36)18-17-28(34,19-23-9-5-3-6-10-23)30(27(32)33)21-24-11-7-4-8-12-24/h3-16,22,34H,17-21H2,1-2H3,(H,32,33)