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

Systemtic Name: N-[(3S)-1-[(3-cyanophenyl)methyl]-2-oxidanylidene-pyrrolidin-3-yl]-4-(1-oxidanidylpyridin-1-ium-4-yl)benzenesulfonamide Openeye Name: N-[(3S)-1-[(3-cyanophenyl)methyl]-2-oxo-pyrrolidin-3-yl]-4-(1-oxidopyridin-1-ium-4-yl)benzenesulfonamide CAS Name: N-[(3S)-1-[(3-cyanophenyl)methyl]-2-oxo-3-pyrrolidinyl]-4-(1-oxido-4-pyridin-1-iumyl)benzenesulfonamide IUPAC Name: N-[(3S)-1-[(3-cyanophenyl)methyl]-2-oxopyrrolidin-3-yl]-4-(1-oxidopyridin-1-ium-4-yl)benzenesulfonamide Traditional Name: N-[(3S)-1-(3-cyanobenzyl)-2-keto-pyrrolidin-3-yl]-4-(1-oxidopyridin-1-ium-4-yl)benzenesulfonamide Formula: C23H20N4O4S MolecularWeight: 448.4943

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C1NS(=O)(=O)C2=CC=C(C=C2)C3=CC=[N+](C=C3)[O-])CC4=CC=CC(=C4)C#N

Isomeric SMILES

C1CN(C(=O)[C@H]1NS(=O)(=O)C2=CC=C(C=C2)C3=CC=[N+](C=C3)[O-])CC4=CC=CC(=C4)C#N

InChI

InChI=1S/C23H20N4O4S/c24-15-17-2-1-3-18(14-17)16-26-11-10-22(23(26)28)25-32(30,31)21-6-4-19(5-7-21)20-8-12-27(29)13-9-20/h1-9,12-14,22,25H,10-11,16H2/t22-/m0/s1