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

Systemtic Name: 3-[(5-chloranyl-2-methoxy-phenyl)sulfonylamino]-4-[4-(2-cyanoethyl)piperazin-1-yl]benzoic acid Openeye Name: 3-[(5-chloro-2-methoxy-phenyl)sulfonylamino]-4-[4-(2-cyanoethyl)piperazin-1-yl]benzoic acid CAS Name: 3-[(5-chloro-2-methoxyphenyl)sulfonylamino]-4-[4-(2-cyanoethyl)-1-piperazinyl]benzoic acid IUPAC Name: 3-[(5-chloro-2-methoxyphenyl)sulfonylamino]-4-[4-(2-cyanoethyl)piperazin-1-yl]benzoic acid Traditional Name: 3-[(5-chloro-2-methoxy-phenyl)sulfonylamino]-4-[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)Cl)S(=O)(=O)NC2=C(C=CC(=C2)C(=O)O)N3CCN(CC3)CCC#N

Isomeric SMILES

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

InChI

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