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

Systemtic Name: 2-azanyl-3-(4-methoxyphenyl)sulfonyl-5-methyl-4-(phenylmethyl)benzoic acid Openeye Name: 2-amino-4-benzyl-3-(4-methoxyphenyl)sulfonyl-5-methyl-benzoic acid CAS Name: 2-amino-3-(4-methoxyphenyl)sulfonyl-5-methyl-4-(phenylmethyl)benzoic acid IUPAC Name: 2-amino-4-benzyl-3-(4-methoxyphenyl)sulfonyl-5-methylbenzoic acid Traditional Name: 2-amino-4-benzyl-3-(4-methoxyphenyl)sulfonyl-5-methyl-benzoic acid Formula: C22H21NO5S MolecularWeight: 411.47084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1)C(=O)O)N)S(=O)(=O)C2=CC=C(C=C2)OC)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=C(C(=C1)C(=O)O)N)S(=O)(=O)C2=CC=C(C=C2)OC)CC3=CC=CC=C3

InChI

InChI=1S/C22H21NO5S/c1-14-12-19(22(24)25)20(23)21(18(14)13-15-6-4-3-5-7-15)29(26,27)17-10-8-16(28-2)9-11-17/h3-12H,13,23H2,1-2H3,(H,24,25)