N-[(3S)-1-[(3-cyanophenyl)methyl]-2-oxidanylidene-pyrrolidin-3-yl]-4-(1-methylpyridin-1-ium-4-yl)benzenesulfonamide

Systemtic Name: N-[(3S)-1-[(3-cyanophenyl)methyl]-2-oxidanylidene-pyrrolidin-3-yl]-4-(1-methylpyridin-1-ium-4-yl)benzenesulfonamide Openeye Name: N-[(3S)-1-[(3-cyanophenyl)methyl]-2-oxo-pyrrolidin-3-yl]-4-(1-methylpyridin-1-ium-4-yl)benzenesulfonamide CAS Name: N-[(3S)-1-[(3-cyanophenyl)methyl]-2-oxo-3-pyrrolidinyl]-4-(1-methyl-4-pyridin-1-iumyl)benzenesulfonamide IUPAC Name: N-[(3S)-1-[(3-cyanophenyl)methyl]-2-oxopyrrolidin-3-yl]-4-(1-methylpyridin-1-ium-4-yl)benzenesulfonamide Traditional Name: N-[(3S)-1-(3-cyanobenzyl)-2-keto-pyrrolidin-3-yl]-4-(1-methylpyridin-1-ium-4-yl)benzenesulfonamide Formula: C24H23N4O3S+ MolecularWeight: 447.52942

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)NC3CCN(C3=O)CC4=CC=CC(=C4)C#N

Isomeric SMILES

C[N+]1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)N[C@H]3CCN(C3=O)CC4=CC=CC(=C4)C#N

InChI

InChI=1S/C24H23N4O3S/c1-27-12-9-21(10-13-27)20-5-7-22(8-6-20)32(30,31)26-23-11-14-28(24(23)29)17-19-4-2-3-18(15-19)16-25/h2-10,12-13,15,23,26H,11,14,17H2,1H3/q+1/t23-/m0/s1