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

Systemtic Name: 4-(4-cyclohexylpiperazin-1-yl)-3-[(4-methoxyphenyl)sulfonylamino]benzoic acid Openeye Name: 4-(4-cyclohexylpiperazin-1-yl)-3-[(4-methoxyphenyl)sulfonylamino]benzoic acid CAS Name: 4-(4-cyclohexyl-1-piperazinyl)-3-[(4-methoxyphenyl)sulfonylamino]benzoic acid IUPAC Name: 4-(4-cyclohexylpiperazin-1-yl)-3-[(4-methoxyphenyl)sulfonylamino]benzoic acid Traditional Name: 4-(4-cyclohexylpiperazino)-3-[(4-methoxyphenyl)sulfonylamino]benzoic acid Formula: C24H31N3O5S MolecularWeight: 473.58504

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)C(=O)O)N3CCN(CC3)C4CCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)C(=O)O)N3CCN(CC3)C4CCCCC4

InChI

InChI=1S/C24H31N3O5S/c1-32-20-8-10-21(11-9-20)33(30,31)25-22-17-18(24(28)29)7-12-23(22)27-15-13-26(14-16-27)19-5-3-2-4-6-19/h7-12,17,19,25H,2-6,13-16H2,1H3,(H,28,29)