5-[(2-methylphenyl)sulfonylamino]-2-(4-methylpiperazin-1-yl)benzoic acid

Systemtic Name: 5-[(2-methylphenyl)sulfonylamino]-2-(4-methylpiperazin-1-yl)benzoic acid Openeye Name: 2-(4-methylpiperazin-1-yl)-5-(o-tolylsulfonylamino)benzoic acid CAS Name: 5-[(2-methylphenyl)sulfonylamino]-2-(4-methyl-1-piperazinyl)benzoic acid IUPAC Name: 5-[(2-methylphenyl)sulfonylamino]-2-(4-methylpiperazin-1-yl)benzoic acid Traditional Name: 2-(4-methylpiperazino)-5-(o-tolylsulfonylamino)benzoic acid Formula: C19H23N3O4S MolecularWeight: 389.46862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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