N-[3-[[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]amino]-3-oxidanylidene-propyl]-4-nitro-benzamide

Systemtic Name: N-[3-[[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]amino]-3-oxidanylidene-propyl]-4-nitro-benzamide Openeye Name: N-[3-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)anilino]-3-oxo-propyl]-4-nitro-benzamide CAS Name: N-[3-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)anilino]-3-oxopropyl]-4-nitrobenzamide IUPAC Name: N-[3-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)anilino]-3-oxopropyl]-4-nitrobenzamide Traditional Name: N-[3-keto-3-[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)anilino]propyl]-4-nitro-benzamide Formula: C20H22N5O6S+ MolecularWeight: 460.48358

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=[NH+]C1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)CCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CC(=[NH+]C1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)CCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O6S/c26-19(10-12-22-20(27)14-6-8-16(9-7-14)25(28)29)23-15-3-1-4-17(13-15)32(30,31)24-18-5-2-11-21-18/h1,3-4,6-9,13H,2,5,10-12H2,(H,21,24)(H,22,27)(H,23,26)/p+1