5-[(3-chloranyl-2-methyl-phenyl)sulfonylamino]-2-[4-(2-cyanoethyl)piperazin-1-yl]benzoic acid

Systemtic Name: 5-[(3-chloranyl-2-methyl-phenyl)sulfonylamino]-2-[4-(2-cyanoethyl)piperazin-1-yl]benzoic acid Openeye Name: 5-[(3-chloro-2-methyl-phenyl)sulfonylamino]-2-[4-(2-cyanoethyl)piperazin-1-yl]benzoic acid CAS Name: 5-[(3-chloro-2-methylphenyl)sulfonylamino]-2-[4-(2-cyanoethyl)-1-piperazinyl]benzoic acid IUPAC Name: 5-[(3-chloro-2-methylphenyl)sulfonylamino]-2-[4-(2-cyanoethyl)piperazin-1-yl]benzoic acid Traditional Name: 5-[(3-chloro-2-methyl-phenyl)sulfonylamino]-2-[4-(2-cyanoethyl)piperazino]benzoic acid Formula: C21H23ClN4O4S MolecularWeight: 462.94972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)S(=O)(=O)NC2=CC(=C(C=C2)N3CCN(CC3)CCC#N)C(=O)O

Isomeric SMILES

CC1=C(C=CC=C1Cl)S(=O)(=O)NC2=CC(=C(C=C2)N3CCN(CC3)CCC#N)C(=O)O

InChI

InChI=1S/C21H23ClN4O4S/c1-15-18(22)4-2-5-20(15)31(29,30)24-16-6-7-19(17(14-16)21(27)28)26-12-10-25(11-13-26)9-3-8-23/h2,4-7,14,24H,3,9-13H2,1H3,(H,27,28)