1-[2-oxidanylidene-2-[(3-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl]pyridin-1-ium-3-carboxamide

Systemtic Name: 1-[2-oxidanylidene-2-[(3-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl]pyridin-1-ium-3-carboxamide Openeye Name: 1-[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl]pyridin-1-ium-3-carboxamide CAS Name: 1-[2-oxo-2-[3-(1-pyrrolidinylsulfonyl)anilino]ethyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 1-[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl]pyridin-1-ium-3-carboxamide Traditional Name: 1-[2-keto-2-(3-pyrrolidinosulfonylanilino)ethyl]pyridin-1-ium-3-carboxamide Formula: C18H21N4O4S+ MolecularWeight: 389.44874

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C[N+]3=CC=CC(=C3)C(=O)N

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C[N+]3=CC=CC(=C3)C(=O)N

InChI

InChI=1S/C18H20N4O4S/c19-18(24)14-5-4-8-21(12-14)13-17(23)20-15-6-3-7-16(11-15)27(25,26)22-9-1-2-10-22/h3-8,11-12H,1-2,9-10,13H2,(H2-,19,20,23,24)/p+1