(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-[(5-nitro-2-oxidanyl-phenyl)methyl]butanamide

Systemtic Name: (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-[(5-nitro-2-oxidanyl-phenyl)methyl]butanamide Openeye Name: (2S)-N-[(2-hydroxy-5-nitro-phenyl)methyl]-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-butanamide CAS Name: (2S)-N-[(2-hydroxy-5-nitrophenyl)methyl]-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanamide IUPAC Name: (2S)-N-[(2-hydroxy-5-nitrophenyl)methyl]-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanamide Traditional Name: (2S)-N-(2-hydroxy-5-nitro-benzyl)-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-butyramide Formula: C19H23N3O7S MolecularWeight: 437.46682

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC1=C(C=CC(=C1)[N+](=O)[O-])O)NS(=O)(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)[C@@H](C(=O)NCC1=C(C=CC(=C1)[N+](=O)[O-])O)NS(=O)(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C19H23N3O7S/c1-12(2)18(21-30(27,28)16-7-5-15(29-3)6-8-16)19(24)20-11-13-10-14(22(25)26)4-9-17(13)23/h4-10,12,18,21,23H,11H2,1-3H3,(H,20,24)/t18-/m0/s1