4-methoxy-3-[3-(2-methoxy-5-sulfo-phenyl)-5-(phenylcarbamoyl)-1,2,3,4-tetrazol-3-ium-2-yl]benzenesulfonate

Systemtic Name: 4-methoxy-3-[3-(2-methoxy-5-sulfo-phenyl)-5-(phenylcarbamoyl)-1,2,3,4-tetrazol-3-ium-2-yl]benzenesulfonate Openeye Name: 4-methoxy-3-[3-(2-methoxy-5-sulfo-phenyl)-5-(phenylcarbamoyl)tetrazol-3-ium-2-yl]benzenesulfonate CAS Name: 3-[5-[anilino(oxo)methyl]-3-(2-methoxy-5-sulfophenyl)-2-tetrazol-3-iumyl]-4-methoxybenzenesulfonate IUPAC Name: 4-methoxy-3-[3-(2-methoxy-5-sulfophenyl)-5-(phenylcarbamoyl)tetrazol-3-ium-2-yl]benzenesulfonate Traditional Name: 4-methoxy-3-[3-(2-methoxy-5-sulfo-phenyl)-5-(phenylcarbamoyl)tetrazol-3-ium-2-yl]besylate Formula: C22H19N5O9S2 MolecularWeight: 561.54436

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)[O-])N2N=C(N=[N+]2C3=C(C=CC(=C3)S(=[OH+])(=O)[O-])OC)C(=O)NC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)[O-])N2N=C(N=[N+]2C3=C(C=CC(=C3)S(=[OH+])(=O)[O-])OC)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C22H19N5O9S2/c1-35-19-10-8-15(37(29,30)31)12-17(19)26-24-21(22(28)23-14-6-4-3-5-7-14)25-27(26)18-13-16(38(32,33)34)9-11-20(18)36-2/h3-13H,1-2H3,(H2-,23,28,29,30,31,32,33,34)