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

Systemtic Name: 5-[(3-chloranyl-4-methoxy-phenyl)sulfonylamino]-2-[4-(2-cyanoethyl)piperazin-1-yl]benzoic acid Openeye Name: 5-[(3-chloro-4-methoxy-phenyl)sulfonylamino]-2-[4-(2-cyanoethyl)piperazin-1-yl]benzoic acid CAS Name: 5-[(3-chloro-4-methoxyphenyl)sulfonylamino]-2-[4-(2-cyanoethyl)-1-piperazinyl]benzoic acid IUPAC Name: 5-[(3-chloro-4-methoxyphenyl)sulfonylamino]-2-[4-(2-cyanoethyl)piperazin-1-yl]benzoic acid Traditional Name: 5-[(3-chloro-4-methoxy-phenyl)sulfonylamino]-2-[4-(2-cyanoethyl)piperazino]benzoic acid Formula: C21H23ClN4O5S MolecularWeight: 478.94912

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2)N3CCN(CC3)CCC#N)C(=O)O)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2)N3CCN(CC3)CCC#N)C(=O)O)Cl

InChI

InChI=1S/C21H23ClN4O5S/c1-31-20-6-4-16(14-18(20)22)32(29,30)24-15-3-5-19(17(13-15)21(27)28)26-11-9-25(10-12-26)8-2-7-23/h3-6,13-14,24H,2,8-12H2,1H3,(H,27,28)