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

Systemtic Name: N-[1-(3,4-dimethylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]-4-nitro-benzenesulfonamide Openeye Name: N-[1-(3,4-dimethylphenyl)-5-oxo-pyrrolidin-3-yl]-4-nitro-benzenesulfonamide CAS Name: N-[1-(3,4-dimethylphenyl)-5-oxo-3-pyrrolidinyl]-4-nitrobenzenesulfonamide IUPAC Name: N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-4-nitrobenzenesulfonamide Traditional Name: N-[1-(3,4-dimethylphenyl)-5-keto-pyrrolidin-3-yl]-4-nitro-benzenesulfonamide Formula: C18H19N3O5S MolecularWeight: 389.42556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2CC(CC2=O)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)N2CC(CC2=O)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C18H19N3O5S/c1-12-3-4-16(9-13(12)2)20-11-14(10-18(20)22)19-27(25,26)17-7-5-15(6-8-17)21(23)24/h3-9,14,19H,10-11H2,1-2H3