[3-[2-methylpropyl-(4-nitrophenyl)sulfonyl-amino]-2-oxidanyl-propyl]-(phenylmethyl)carbamic acid

Systemtic Name: [3-[2-methylpropyl-(4-nitrophenyl)sulfonyl-amino]-2-oxidanyl-propyl]-(phenylmethyl)carbamic acid Openeye Name: benzyl-[2-hydroxy-3-[isobutyl-(4-nitrophenyl)sulfonyl-amino]propyl]carbamic acid CAS Name: [2-hydroxy-3-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]propyl]-(phenylmethyl)carbamic acid IUPAC Name: benzyl-[2-hydroxy-3-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]propyl]carbamic acid Traditional Name: benzyl-[2-hydroxy-3-[isobutyl(nosyl)amino]propyl]carbamic acid Formula: C21H27N3O7S MolecularWeight: 465.51998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O7S/c1-16(2)12-23(32(30,31)20-10-8-18(9-11-20)24(28)29)15-19(25)14-22(21(26)27)13-17-6-4-3-5-7-17/h3-11,16,19,25H,12-15H2,1-2H3,(H,26,27)