4-[2,5-bis(oxidanylidene)-3-[(4-sulfamoylphenyl)methylazaniumyl]pyrrolidin-1-yl]benzoate

Systemtic Name: 4-[2,5-bis(oxidanylidene)-3-[(4-sulfamoylphenyl)methylazaniumyl]pyrrolidin-1-yl]benzoate Openeye Name: 4-[2,5-dioxo-3-[(4-sulfamoylphenyl)methylammonio]pyrrolidin-1-yl]benzoate CAS Name: 4-[2,5-dioxo-3-[(4-sulfamoylphenyl)methylammonio]-1-pyrrolidinyl]benzoate IUPAC Name: 4-[2,5-dioxo-3-[(4-sulfamoylphenyl)methylazaniumyl]pyrrolidin-1-yl]benzoate Traditional Name: 4-[2,5-diketo-3-[(4-sulfamoylbenzyl)ammonio]pyrrolidino]benzoate Formula: C18H17N3O6S MolecularWeight: 403.40908

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(C1=O)C2=CC=C(C=C2)C(=O)[O-])[NH2+]CC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

C1C(C(=O)N(C1=O)C2=CC=C(C=C2)C(=O)[O-])[NH2+]CC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C18H17N3O6S/c19-28(26,27)14-7-1-11(2-8-14)10-20-15-9-16(22)21(17(15)23)13-5-3-12(4-6-13)18(24)25/h1-8,15,20H,9-10H2,(H,24,25)(H2,19,26,27)