2-[4-(2-cyanoethyl)piperazin-1-yl]-5-[(4-cyclohexylphenyl)sulfonylamino]benzoic acid

Systemtic Name: 2-[4-(2-cyanoethyl)piperazin-1-yl]-5-[(4-cyclohexylphenyl)sulfonylamino]benzoic acid Openeye Name: 2-[4-(2-cyanoethyl)piperazin-1-yl]-5-[(4-cyclohexylphenyl)sulfonylamino]benzoic acid CAS Name: 2-[4-(2-cyanoethyl)-1-piperazinyl]-5-[(4-cyclohexylphenyl)sulfonylamino]benzoic acid IUPAC Name: 2-[4-(2-cyanoethyl)piperazin-1-yl]-5-[(4-cyclohexylphenyl)sulfonylamino]benzoic acid Traditional Name: 2-[4-(2-cyanoethyl)piperazino]-5-[(4-cyclohexylphenyl)sulfonylamino]benzoic acid Formula: C26H32N4O4S MolecularWeight: 496.62168

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)S(=O)(=O)NC3=CC(=C(C=C3)N4CCN(CC4)CCC#N)C(=O)O

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)S(=O)(=O)NC3=CC(=C(C=C3)N4CCN(CC4)CCC#N)C(=O)O

InChI

InChI=1S/C26H32N4O4S/c27-13-4-14-29-15-17-30(18-16-29)25-12-9-22(19-24(25)26(31)32)28-35(33,34)23-10-7-21(8-11-23)20-5-2-1-3-6-20/h7-12,19-20,28H,1-6,14-18H2,(H,31,32)