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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1S(=O)(=O)C2=CC=C(C=C2)OC)N)C(=O)O)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C(=C1S(=O)(=O)C2=CC=C(C=C2)OC)N)C(=O)O)CC3=CC=CC=C3

InChI

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