methyl (2R)-3-methyl-2-[(3-nitrophenyl)sulfonyl-(pyridin-3-ylmethyl)amino]butanoate

Systemtic Name: methyl (2R)-3-methyl-2-[(3-nitrophenyl)sulfonyl-(pyridin-3-ylmethyl)amino]butanoate Openeye Name: methyl (2R)-3-methyl-2-[(3-nitrophenyl)sulfonyl-(3-pyridylmethyl)amino]butanoate CAS Name: (2R)-3-methyl-2-[(3-nitrophenyl)sulfonyl-(3-pyridinylmethyl)amino]butanoic acid methyl ester IUPAC Name: methyl (2R)-3-methyl-2-[(3-nitrophenyl)sulfonyl-(pyridin-3-ylmethyl)amino]butanoate Traditional Name: (2R)-3-methyl-2-[(3-nitrophenyl)sulfonyl-(3-pyridylmethyl)amino]butyric acid methyl ester Formula: C18H21N3O6S MolecularWeight: 407.44084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O6S/c1-13(2)17(18(22)27-3)20(12-14-6-5-9-19-11-14)28(25,26)16-8-4-7-15(10-16)21(23)24/h4-11,13,17H,12H2,1-3H3/t17-/m1/s1