5-[[[3-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]carbonylamino]methyl]-2-methoxy-benzoic acid

Systemtic Name: 5-[[[3-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]carbonylamino]methyl]-2-methoxy-benzoic acid Openeye Name: 5-[[[3-[(3,5-dimethyl-1-piperidyl)sulfonyl]benzoyl]amino]methyl]-2-methoxy-benzoic acid CAS Name: 5-[[[[3-[(3,5-dimethyl-1-piperidinyl)sulfonyl]phenyl]-oxomethyl]amino]methyl]-2-methoxybenzoic acid IUPAC Name: 5-[[[3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoyl]amino]methyl]-2-methoxybenzoic acid Traditional Name: 5-[[[3-(3,5-dimethylpiperidino)sulfonylbenzoyl]amino]methyl]-2-methoxy-benzoic acid Formula: C23H28N2O6S MolecularWeight: 460.54322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCC3=CC(=C(C=C3)OC)C(=O)O)C

Isomeric SMILES

CC1CC(CN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCC3=CC(=C(C=C3)OC)C(=O)O)C

InChI

InChI=1S/C23H28N2O6S/c1-15-9-16(2)14-25(13-15)32(29,30)19-6-4-5-18(11-19)22(26)24-12-17-7-8-21(31-3)20(10-17)23(27)28/h4-8,10-11,15-16H,9,12-14H2,1-3H3,(H,24,26)(H,27,28)