2-[(4-hydroxyphenyl)sulfonyl-(phenylmethyl)amino]-3,5-dimethyl-benzoic acid

Systemtic Name: 2-[(4-hydroxyphenyl)sulfonyl-(phenylmethyl)amino]-3,5-dimethyl-benzoic acid Openeye Name: 2-[benzyl-(4-hydroxyphenyl)sulfonyl-amino]-3,5-dimethyl-benzoic acid CAS Name: 2-[(4-hydroxyphenyl)sulfonyl-(phenylmethyl)amino]-3,5-dimethylbenzoic acid IUPAC Name: 2-[benzyl-(4-hydroxyphenyl)sulfonylamino]-3,5-dimethylbenzoic acid Traditional Name: 2-[benzyl-(4-hydroxyphenyl)sulfonyl-amino]-3,5-dimethyl-benzoic acid Formula: C22H21NO5S MolecularWeight: 411.47084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C(=O)O)N(CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C(=O)O)N(CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)O)C

InChI

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