pyridin-3-ylmethyl N-[4-[2-methylpropyl-(4-nitrophenyl)sulfonyl-amino]-2-oxidanyl-1-phenyl-butan-2-yl]carbamate

Systemtic Name: pyridin-3-ylmethyl N-[4-[2-methylpropyl-(4-nitrophenyl)sulfonyl-amino]-2-oxidanyl-1-phenyl-butan-2-yl]carbamate Openeye Name: 3-pyridylmethyl N-[1-benzyl-1-hydroxy-3-[isobutyl-(4-nitrophenyl)sulfonyl-amino]propyl]carbamate CAS Name: N-[2-hydroxy-4-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]-1-phenylbutan-2-yl]carbamic acid 3-pyridinylmethyl ester IUPAC Name: pyridin-3-ylmethyl N-[2-hydroxy-4-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]-1-phenylbutan-2-yl]carbamate Traditional Name: N-[1-benzyl-1-hydroxy-3-[isobutyl(nosyl)amino]propyl]carbamic acid 3-pyridylmethyl ester Formula: C27H32N4O7S MolecularWeight: 556.63058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H32N4O7S/c1-21(2)19-30(39(36,37)25-12-10-24(11-13-25)31(34)35)16-14-27(33,17-22-7-4-3-5-8-22)29-26(32)38-20-23-9-6-15-28-18-23/h3-13,15,18,21,33H,14,16-17,19-20H2,1-2H3,(H,29,32)