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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)C(=O)O)N3CCN(CC3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)C(=O)O)N3CCN(CC3)C

InChI

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