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

Systemtic Name: 4-(4-cyclohexylpiperazin-1-yl)-3-[(3-methylphenyl)sulfonylamino]benzoic acid Openeye Name: 4-(4-cyclohexylpiperazin-1-yl)-3-(m-tolylsulfonylamino)benzoic acid CAS Name: 4-(4-cyclohexyl-1-piperazinyl)-3-[(3-methylphenyl)sulfonylamino]benzoic acid IUPAC Name: 4-(4-cyclohexylpiperazin-1-yl)-3-[(3-methylphenyl)sulfonylamino]benzoic acid Traditional Name: 4-(4-cyclohexylpiperazino)-3-(m-tolylsulfonylamino)benzoic acid Formula: C24H31N3O4S MolecularWeight: 457.58564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)S(=O)(=O)NC2=C(C=CC(=C2)C(=O)O)N3CCN(CC3)C4CCCCC4

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)NC2=C(C=CC(=C2)C(=O)O)N3CCN(CC3)C4CCCCC4

InChI

InChI=1S/C24H31N3O4S/c1-18-6-5-9-21(16-18)32(30,31)25-22-17-19(24(28)29)10-11-23(22)27-14-12-26(13-15-27)20-7-3-2-4-8-20/h5-6,9-11,16-17,20,25H,2-4,7-8,12-15H2,1H3,(H,28,29)