2-azanyl-3-methoxy-4-(4-methoxyphenyl)sulfonyl-5-(phenylmethyl)benzoic acid

Systemtic Name: 2-azanyl-3-methoxy-4-(4-methoxyphenyl)sulfonyl-5-(phenylmethyl)benzoic acid Openeye Name: 2-amino-5-benzyl-3-methoxy-4-(4-methoxyphenyl)sulfonyl-benzoic acid CAS Name: 2-amino-3-methoxy-4-(4-methoxyphenyl)sulfonyl-5-(phenylmethyl)benzoic acid IUPAC Name: 2-amino-5-benzyl-3-methoxy-4-(4-methoxyphenyl)sulfonylbenzoic acid Traditional Name: 2-amino-5-benzyl-3-methoxy-4-(4-methoxyphenyl)sulfonyl-benzoic acid Formula: C22H21NO6S MolecularWeight: 427.47024

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)C2=C(C=C(C(=C2OC)N)C(=O)O)CC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)C2=C(C=C(C(=C2OC)N)C(=O)O)CC3=CC=CC=C3

InChI

InChI=1S/C22H21NO6S/c1-28-16-8-10-17(11-9-16)30(26,27)21-15(12-14-6-4-3-5-7-14)13-18(22(24)25)19(23)20(21)29-2/h3-11,13H,12,23H2,1-2H3,(H,24,25)