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

Systemtic Name: 3-[(2-methylphenyl)sulfonylamino]-4-(4-propylpiperazin-1-yl)benzoic acid Openeye Name: 3-(o-tolylsulfonylamino)-4-(4-propylpiperazin-1-yl)benzoic acid CAS Name: 3-[(2-methylphenyl)sulfonylamino]-4-(4-propyl-1-piperazinyl)benzoic acid IUPAC Name: 3-[(2-methylphenyl)sulfonylamino]-4-(4-propylpiperazin-1-yl)benzoic acid Traditional Name: 3-(o-tolylsulfonylamino)-4-(4-propylpiperazino)benzoic acid Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCN(CC1)C2=C(C=C(C=C2)C(=O)O)NS(=O)(=O)C3=CC=CC=C3C

Isomeric SMILES

CCCN1CCN(CC1)C2=C(C=C(C=C2)C(=O)O)NS(=O)(=O)C3=CC=CC=C3C

InChI

InChI=1S/C21H27N3O4S/c1-3-10-23-11-13-24(14-12-23)19-9-8-17(21(25)26)15-18(19)22-29(27,28)20-7-5-4-6-16(20)2/h4-9,15,22H,3,10-14H2,1-2H3,(H,25,26)