3-[[4-chloranyl-2,5-bis(oxidanylidene)-1-(phenylmethyl)pyrrol-3-yl]amino]benzenesulfonate

Systemtic Name: 3-[[4-chloranyl-2,5-bis(oxidanylidene)-1-(phenylmethyl)pyrrol-3-yl]amino]benzenesulfonate Openeye Name: 3-[(1-benzyl-4-chloro-2,5-dioxo-pyrrol-3-yl)amino]benzenesulfonate CAS Name: 3-[[4-chloro-2,5-dioxo-1-(phenylmethyl)-3-pyrrolyl]amino]benzenesulfonate IUPAC Name: 3-[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]benzenesulfonate Traditional Name: 3-[(1-benzyl-4-chloro-2,5-diketo-3-pyrrolin-3-yl)amino]besylate Formula: C17H12ClN2O5S- MolecularWeight: 391.80558

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C(=C(C2=O)Cl)NC3=CC(=CC=C3)S(=O)(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C(=C(C2=O)Cl)NC3=CC(=CC=C3)S(=O)(=O)[O-]

InChI

InChI=1S/C17H13ClN2O5S/c18-14-15(19-12-7-4-8-13(9-12)26(23,24)25)17(22)20(16(14)21)10-11-5-2-1-3-6-11/h1-9,19H,10H2,(H,23,24,25)/p-1