methyl 3-[4-(4-cyanopyridin-2-yl)piperazin-1-yl]sulfonyl-4-methyl-benzoate

Systemtic Name: methyl 3-[4-(4-cyanopyridin-2-yl)piperazin-1-yl]sulfonyl-4-methyl-benzoate Openeye Name: methyl 3-[4-(4-cyano-2-pyridyl)piperazin-1-yl]sulfonyl-4-methyl-benzoate CAS Name: 3-[[4-(4-cyano-2-pyridinyl)-1-piperazinyl]sulfonyl]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[4-(4-cyanopyridin-2-yl)piperazin-1-yl]sulfonyl-4-methylbenzoate Traditional Name: 3-[4-(4-cyano-2-pyridyl)piperazino]sulfonyl-4-methyl-benzoic acid methyl ester Formula: C19H20N4O4S MolecularWeight: 400.4515

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)S(=O)(=O)N2CCN(CC2)C3=NC=CC(=C3)C#N

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)S(=O)(=O)N2CCN(CC2)C3=NC=CC(=C3)C#N

InChI

InChI=1S/C19H20N4O4S/c1-14-3-4-16(19(24)27-2)12-17(14)28(25,26)23-9-7-22(8-10-23)18-11-15(13-20)5-6-21-18/h3-6,11-12H,7-10H2,1-2H3