3-[(2-methylphenyl)sulfonylamino]-4-(4-methylpiperazin-1-yl)benzoic acid

Systemtic Name: 3-[(2-methylphenyl)sulfonylamino]-4-(4-methylpiperazin-1-yl)benzoic acid Openeye Name: 4-(4-methylpiperazin-1-yl)-3-(o-tolylsulfonylamino)benzoic acid CAS Name: 3-[(2-methylphenyl)sulfonylamino]-4-(4-methyl-1-piperazinyl)benzoic acid IUPAC Name: 3-[(2-methylphenyl)sulfonylamino]-4-(4-methylpiperazin-1-yl)benzoic acid Traditional Name: 4-(4-methylpiperazino)-3-(o-tolylsulfonylamino)benzoic acid Formula: C19H23N3O4S MolecularWeight: 389.46862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1S(=O)(=O)NC2=C(C=CC(=C2)C(=O)O)N3CCN(CC3)C

Isomeric SMILES

CC1=CC=CC=C1S(=O)(=O)NC2=C(C=CC(=C2)C(=O)O)N3CCN(CC3)C

InChI

InChI=1S/C19H23N3O4S/c1-14-5-3-4-6-18(14)27(25,26)20-16-13-15(19(23)24)7-8-17(16)22-11-9-21(2)10-12-22/h3-8,13,20H,9-12H2,1-2H3,(H,23,24)