3-methyl-4-[(2-methyl-5-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]benzoic acid

Systemtic Name: 3-methyl-4-[(2-methyl-5-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]benzoic acid Openeye Name: 3-methyl-4-[(2-methyl-5-pyrrolidin-1-ylsulfonyl-benzoyl)amino]benzoic acid CAS Name: 3-methyl-4-[[[2-methyl-5-(1-pyrrolidinylsulfonyl)phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-methyl-4-[(2-methyl-5-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzoic acid Traditional Name: 3-methyl-4-[(2-methyl-5-pyrrolidinosulfonyl-benzoyl)amino]benzoic acid Formula: C20H22N2O5S MolecularWeight: 402.46408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)NC3=C(C=C(C=C3)C(=O)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)NC3=C(C=C(C=C3)C(=O)O)C

InChI

InChI=1S/C20H22N2O5S/c1-13-5-7-16(28(26,27)22-9-3-4-10-22)12-17(13)19(23)21-18-8-6-15(20(24)25)11-14(18)2/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,21,23)(H,24,25)