2-azanyl-5-[(4-azanyl-3-sulfo-phenyl)-(methoxycarbamoyl)amino]-3-methoxy-benzenesulfonic acid

Systemtic Name: 2-azanyl-5-[(4-azanyl-3-sulfo-phenyl)-(methoxycarbamoyl)amino]-3-methoxy-benzenesulfonic acid Openeye Name: 2-amino-5-[4-amino-N-(methoxycarbamoyl)-3-sulfo-anilino]-3-methoxy-benzenesulfonic acid CAS Name: 2-amino-5-(4-amino-N-[(methoxyamino)-oxomethyl]-3-sulfoanilino)-3-methoxybenzenesulfonic acid IUPAC Name: 2-amino-5-[4-amino-N-(methoxycarbamoyl)-3-sulfoanilino]-3-methoxybenzenesulfonic acid Traditional Name: 2-amino-5-[4-amino-N-(methoxycarbamoyl)-3-sulfo-anilino]-3-methoxy-besylic acid Formula: C15H18N4O9S2 MolecularWeight: 462.45482

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)N(C2=CC(=C(C=C2)N)S(=O)(=O)O)C(=O)NOC)S(=O)(=O)O)N

Isomeric SMILES

COC1=C(C(=CC(=C1)N(C2=CC(=C(C=C2)N)S(=O)(=O)O)C(=O)NOC)S(=O)(=O)O)N

InChI

InChI=1S/C15H18N4O9S2/c1-27-11-5-9(7-13(14(11)17)30(24,25)26)19(15(20)18-28-2)8-3-4-10(16)12(6-8)29(21,22)23/h3-7H,16-17H2,1-2H3,(H,18,20)(H,21,22,23)(H,24,25,26)