(2R)-N-methoxy-3-methyl-2-[(3-nitrophenyl)sulfonyl-(pyridin-3-ylmethyl)amino]butanamide

Systemtic Name: (2R)-N-methoxy-3-methyl-2-[(3-nitrophenyl)sulfonyl-(pyridin-3-ylmethyl)amino]butanamide Openeye Name: (2R)-N-methoxy-3-methyl-2-[(3-nitrophenyl)sulfonyl-(3-pyridylmethyl)amino]butanamide CAS Name: (2R)-N-methoxy-3-methyl-2-[(3-nitrophenyl)sulfonyl-(3-pyridinylmethyl)amino]butanamide IUPAC Name: (2R)-N-methoxy-3-methyl-2-[(3-nitrophenyl)sulfonyl-(pyridin-3-ylmethyl)amino]butanamide Traditional Name: (2R)-N-methoxy-3-methyl-2-[(3-nitrophenyl)sulfonyl-(3-pyridylmethyl)amino]butyramide Formula: C18H22N4O6S MolecularWeight: 421.456214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)[C@H](C(=O)NO[11CH3])N(CC1=CN=CC=C1)S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H22N4O6S/c1-13(2)17(18(23)20-28-3)21(12-14-6-5-9-19-11-14)29(26,27)16-8-4-7-15(10-16)22(24)25/h4-11,13,17H,12H2,1-3H3,(H,20,23)/t17-/m1/s1/i3-1