N-[(2S)-butan-2-yl]-3-nitro-4-(2-oxidanylidenepyrrolidin-1-yl)benzenesulfonamide

Systemtic Name: N-[(2S)-butan-2-yl]-3-nitro-4-(2-oxidanylidenepyrrolidin-1-yl)benzenesulfonamide Openeye Name: N-[(1S)-1-methylpropyl]-3-nitro-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide CAS Name: N-[(2S)-butan-2-yl]-3-nitro-4-(2-oxo-1-pyrrolidinyl)benzenesulfonamide IUPAC Name: N-[(2S)-butan-2-yl]-3-nitro-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide Traditional Name: 4-(2-ketopyrrolidino)-N-[(1S)-1-methylpropyl]-3-nitro-benzenesulfonamide Formula: C14H19N3O5S MolecularWeight: 341.38276

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NS(=O)(=O)C1=CC(=C(C=C1)N2CCCC2=O)[N+](=O)[O-]

Isomeric SMILES

CC[C@H](C)NS(=O)(=O)C1=CC(=C(C=C1)N2CCCC2=O)[N+](=O)[O-]

InChI

InChI=1S/C14H19N3O5S/c1-3-10(2)15-23(21,22)11-6-7-12(13(9-11)17(19)20)16-8-4-5-14(16)18/h6-7,9-10,15H,3-5,8H2,1-2H3/t10-/m0/s1