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

Systemtic Name: 4-(4-methylpiperazin-1-yl)-3-[[4-(2-methylpropyl)phenyl]sulfonylamino]benzoic acid Openeye Name: 3-[(4-isobutylphenyl)sulfonylamino]-4-(4-methylpiperazin-1-yl)benzoic acid CAS Name: 4-(4-methyl-1-piperazinyl)-3-[[4-(2-methylpropyl)phenyl]sulfonylamino]benzoic acid IUPAC Name: 4-(4-methylpiperazin-1-yl)-3-[[4-(2-methylpropyl)phenyl]sulfonylamino]benzoic acid Traditional Name: 3-[(4-isobutylphenyl)sulfonylamino]-4-(4-methylpiperazino)benzoic acid Formula: C22H29N3O4S MolecularWeight: 431.54836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O4S/c1-16(2)14-17-4-7-19(8-5-17)30(28,29)23-20-15-18(22(26)27)6-9-21(20)25-12-10-24(3)11-13-25/h4-9,15-16,23H,10-14H2,1-3H3,(H,26,27)