4-[(3-azanyl-4-methoxy-phenyl)carbonylamino]-3-chloranyl-benzenesulfonic acid

Systemtic Name: 4-[(3-azanyl-4-methoxy-phenyl)carbonylamino]-3-chloranyl-benzenesulfonic acid Openeye Name: 4-[(3-amino-4-methoxy-benzoyl)amino]-3-chloro-benzenesulfonic acid CAS Name: 4-[[(3-amino-4-methoxyphenyl)-oxomethyl]amino]-3-chlorobenzenesulfonic acid IUPAC Name: 4-[(3-amino-4-methoxybenzoyl)amino]-3-chlorobenzenesulfonic acid Traditional Name: 4-[(3-amino-4-methoxy-benzoyl)amino]-3-chloro-besylic acid Formula: C14H13ClN2O5S MolecularWeight: 356.78142

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)S(=O)(=O)O)Cl)N

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)S(=O)(=O)O)Cl)N

InChI

InChI=1S/C14H13ClN2O5S/c1-22-13-5-2-8(6-11(13)16)14(18)17-12-4-3-9(7-10(12)15)23(19,20)21/h2-7H,16H2,1H3,(H,17,18)(H,19,20,21)