4-[4-(2-cyanoethyl)piperazin-1-yl]-3-[(4-methoxyphenyl)sulfonylamino]benzoic acid

Systemtic Name: 4-[4-(2-cyanoethyl)piperazin-1-yl]-3-[(4-methoxyphenyl)sulfonylamino]benzoic acid Openeye Name: 4-[4-(2-cyanoethyl)piperazin-1-yl]-3-[(4-methoxyphenyl)sulfonylamino]benzoic acid CAS Name: 4-[4-(2-cyanoethyl)-1-piperazinyl]-3-[(4-methoxyphenyl)sulfonylamino]benzoic acid IUPAC Name: 4-[4-(2-cyanoethyl)piperazin-1-yl]-3-[(4-methoxyphenyl)sulfonylamino]benzoic acid Traditional Name: 4-[4-(2-cyanoethyl)piperazino]-3-[(4-methoxyphenyl)sulfonylamino]benzoic acid Formula: C21H24N4O5S MolecularWeight: 444.50406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O5S/c1-30-17-4-6-18(7-5-17)31(28,29)23-19-15-16(21(26)27)3-8-20(19)25-13-11-24(12-14-25)10-2-9-22/h3-8,15,23H,2,10-14H2,1H3,(H,26,27)