(2-carboxyphenyl)sulfonyl-[[3,4-dimethyl-2,5-bis(oxidanylidene)pyrrol-1-yl]amino]azanium

Systemtic Name: (2-carboxyphenyl)sulfonyl-[[3,4-dimethyl-2,5-bis(oxidanylidene)pyrrol-1-yl]amino]azanium Openeye Name: (2-carboxyphenyl)sulfonyl-[(3,4-dimethyl-2,5-dioxo-pyrrol-1-yl)amino]ammonium CAS Name: (2-carboxyphenyl)sulfonyl-[(3,4-dimethyl-2,5-dioxo-1-pyrrolyl)amino]ammonium IUPAC Name: (2-carboxyphenyl)sulfonyl-[(3,4-dimethyl-2,5-dioxopyrrol-1-yl)amino]azanium Traditional Name: (2-carboxyphenyl)sulfonyl-[(2,5-diketo-3,4-dimethyl-3-pyrrolin-1-yl)amino]ammonium Formula: C13H14N3O6S+ MolecularWeight: 340.33176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C1=O)N[NH2+]S(=O)(=O)C2=CC=CC=C2C(=O)O)C

Isomeric SMILES

CC1=C(C(=O)N(C1=O)N[NH2+]S(=O)(=O)C2=CC=CC=C2C(=O)O)C

InChI

InChI=1S/C13H13N3O6S/c1-7-8(2)12(18)16(11(7)17)14-15-23(21,22)10-6-4-3-5-9(10)13(19)20/h3-6,14-15H,1-2H3,(H,19,20)/p+1