N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxidanylidene-pyrrolidin-3-yl]-4-nitro-benzenesulfonamide

Systemtic Name: N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxidanylidene-pyrrolidin-3-yl]-4-nitro-benzenesulfonamide Openeye Name: N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxo-pyrrolidin-3-yl]-4-nitro-benzenesulfonamide CAS Name: N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxo-3-pyrrolidinyl]-4-nitrobenzenesulfonamide IUPAC Name: N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-4-nitrobenzenesulfonamide Traditional Name: N-[(3R)-1-(3,4-dimethoxyphenyl)-5-keto-pyrrolidin-3-yl]-4-nitro-benzenesulfonamide Formula: C18H19N3O7S MolecularWeight: 421.42436

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2CC(CC2=O)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)N2C[C@@H](CC2=O)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C18H19N3O7S/c1-27-16-8-5-14(10-17(16)28-2)20-11-12(9-18(20)22)19-29(25,26)15-6-3-13(4-7-15)21(23)24/h3-8,10,12,19H,9,11H2,1-2H3/t12-/m1/s1