methyl 4-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]carbonylbenzoate

Systemtic Name: methyl 4-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]carbonylbenzoate Openeye Name: methyl 4-[4-(2-cyanophenyl)sulfonylpiperazine-1-carbonyl]benzoate CAS Name: 4-[[4-(2-cyanophenyl)sulfonyl-1-piperazinyl]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-(2-cyanophenyl)sulfonylpiperazine-1-carbonyl]benzoate Traditional Name: 4-[4-(2-cyanophenyl)sulfonylpiperazine-1-carbonyl]benzoic acid methyl ester Formula: C20H19N3O5S MolecularWeight: 413.44696

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C20H19N3O5S/c1-28-20(25)16-8-6-15(7-9-16)19(24)22-10-12-23(13-11-22)29(26,27)18-5-3-2-4-17(18)14-21/h2-9H,10-13H2,1H3