4-[(E)-2-[(3-azanyl-4-methoxy-phenyl)methylsulfonyl]ethenyl]benzoic acid

Systemtic Name: 4-[(E)-2-[(3-azanyl-4-methoxy-phenyl)methylsulfonyl]ethenyl]benzoic acid Openeye Name: 4-[(E)-2-[(3-amino-4-methoxy-phenyl)methylsulfonyl]vinyl]benzoic acid CAS Name: 4-[(E)-2-[(3-amino-4-methoxyphenyl)methylsulfonyl]ethenyl]benzoic acid IUPAC Name: 4-[(E)-2-[(3-amino-4-methoxyphenyl)methylsulfonyl]ethenyl]benzoic acid Traditional Name: 4-[(E)-2-(3-amino-4-methoxy-benzyl)sulfonylvinyl]benzoic acid Formula: C17H17NO5S MolecularWeight: 347.38558

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CS(=O)(=O)C=CC2=CC=C(C=C2)C(=O)O)N

Isomeric SMILES

COC1=C(C=C(C=C1)CS(=O)(=O)/C=C/C2=CC=C(C=C2)C(=O)O)N

InChI

InChI=1S/C17H17NO5S/c1-23-16-7-4-13(10-15(16)18)11-24(21,22)9-8-12-2-5-14(6-3-12)17(19)20/h2-10H,11,18H2,1H3,(H,19,20)/b9-8+