4-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(methylsulfonylamino)benzoic acid

Systemtic Name: 4-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(methylsulfonylamino)benzoic acid Openeye Name: 3-(methanesulfonamido)-4-[4-(4-methoxyphenyl)piperazin-1-yl]benzoic acid CAS Name: 3-(methanesulfonamido)-4-[4-(4-methoxyphenyl)-1-piperazinyl]benzoic acid IUPAC Name: 3-(methanesulfonamido)-4-[4-(4-methoxyphenyl)piperazin-1-yl]benzoic acid Traditional Name: 3-(methanesulfonamido)-4-[4-(4-methoxyphenyl)piperazino]benzoic acid Formula: C19H23N3O5S MolecularWeight: 405.46802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)O)NS(=O)(=O)C

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)O)NS(=O)(=O)C

InChI

InChI=1S/C19H23N3O5S/c1-27-16-6-4-15(5-7-16)21-9-11-22(12-10-21)18-8-3-14(19(23)24)13-17(18)20-28(2,25)26/h3-8,13,20H,9-12H2,1-2H3,(H,23,24)