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

Systemtic Name: 2-azanyl-4-(4-methoxyphenyl)sulfonyl-3-oxidanyl-5-(phenylmethyl)benzoic acid Openeye Name: 2-amino-5-benzyl-3-hydroxy-4-(4-methoxyphenyl)sulfonyl-benzoic acid CAS Name: 2-amino-3-hydroxy-4-(4-methoxyphenyl)sulfonyl-5-(phenylmethyl)benzoic acid IUPAC Name: 2-amino-5-benzyl-3-hydroxy-4-(4-methoxyphenyl)sulfonylbenzoic acid Traditional Name: 2-amino-5-benzyl-3-hydroxy-4-(4-methoxyphenyl)sulfonyl-benzoic acid Formula: C21H19NO6S MolecularWeight: 413.44366

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)C2=C(C=C(C(=C2O)N)C(=O)O)CC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)C2=C(C=C(C(=C2O)N)C(=O)O)CC3=CC=CC=C3

InChI

InChI=1S/C21H19NO6S/c1-28-15-7-9-16(10-8-15)29(26,27)20-14(11-13-5-3-2-4-6-13)12-17(21(24)25)18(22)19(20)23/h2-10,12,23H,11,22H2,1H3,(H,24,25)