2-[(4-hydroxyphenyl)sulfonyl-methyl-amino]-3-methyl-5-phenyl-benzoic acid

Systemtic Name: 2-[(4-hydroxyphenyl)sulfonyl-methyl-amino]-3-methyl-5-phenyl-benzoic acid Openeye Name: 2-[(4-hydroxyphenyl)sulfonyl-methyl-amino]-3-methyl-5-phenyl-benzoic acid CAS Name: 2-[(4-hydroxyphenyl)sulfonyl-methylamino]-3-methyl-5-phenylbenzoic acid IUPAC Name: 2-[(4-hydroxyphenyl)sulfonyl-methylamino]-3-methyl-5-phenylbenzoic acid Traditional Name: 2-[(4-hydroxyphenyl)sulfonyl-methyl-amino]-3-methyl-5-phenyl-benzoic acid Formula: C21H19NO5S MolecularWeight: 397.44426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1N(C)S(=O)(=O)C2=CC=C(C=C2)O)C(=O)O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC(=C1N(C)S(=O)(=O)C2=CC=C(C=C2)O)C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C21H19NO5S/c1-14-12-16(15-6-4-3-5-7-15)13-19(21(24)25)20(14)22(2)28(26,27)18-10-8-17(23)9-11-18/h3-13,23H,1-2H3,(H,24,25)