4-(4-cyclohexylpiperazin-1-yl)-3-[(4-propan-2-ylphenyl)sulfonylamino]benzoic acid

Systemtic Name: 4-(4-cyclohexylpiperazin-1-yl)-3-[(4-propan-2-ylphenyl)sulfonylamino]benzoic acid Openeye Name: 4-(4-cyclohexylpiperazin-1-yl)-3-[(4-isopropylphenyl)sulfonylamino]benzoic acid CAS Name: 4-(4-cyclohexyl-1-piperazinyl)-3-[(4-propan-2-ylphenyl)sulfonylamino]benzoic acid IUPAC Name: 4-(4-cyclohexylpiperazin-1-yl)-3-[(4-propan-2-ylphenyl)sulfonylamino]benzoic acid Traditional Name: 4-(4-cyclohexylpiperazino)-3-(p-cumenylsulfonylamino)benzoic acid Formula: C26H35N3O4S MolecularWeight: 485.6388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H35N3O4S/c1-19(2)20-8-11-23(12-9-20)34(32,33)27-24-18-21(26(30)31)10-13-25(24)29-16-14-28(15-17-29)22-6-4-3-5-7-22/h8-13,18-19,22,27H,3-7,14-17H2,1-2H3,(H,30,31)