cyanomethyl 3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-4-methoxy-benzoate

Systemtic Name: cyanomethyl 3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-4-methoxy-benzoate Openeye Name: cyanomethyl 3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-4-methoxy-benzoate CAS Name: 3-[[4-(3-chlorophenyl)-1-piperazinyl]sulfonyl]-4-methoxybenzoic acid cyanomethyl ester IUPAC Name: cyanomethyl 3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-4-methoxybenzoate Traditional Name: 3-[4-(3-chlorophenyl)piperazino]sulfonyl-4-methoxy-benzoic acid cyanomethyl ester Formula: C20H20ClN3O5S MolecularWeight: 449.9079

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC#N)S(=O)(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC#N)S(=O)(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C20H20ClN3O5S/c1-28-18-6-5-15(20(25)29-12-7-22)13-19(18)30(26,27)24-10-8-23(9-11-24)17-4-2-3-16(21)14-17/h2-6,13-14H,8-12H2,1H3