ethyl 6-[4-[(5-chloranylthiophen-2-yl)sulfonylcarbamoyl]-2-methyl-piperazin-1-yl]-5-cyano-2-methyl-pyridine-3-carboxylate

Systemtic Name: ethyl 6-[4-[(5-chloranylthiophen-2-yl)sulfonylcarbamoyl]-2-methyl-piperazin-1-yl]-5-cyano-2-methyl-pyridine-3-carboxylate Openeye Name: ethyl 6-[4-[(5-chloro-2-thienyl)sulfonylcarbamoyl]-2-methyl-piperazin-1-yl]-5-cyano-2-methyl-pyridine-3-carboxylate CAS Name: 6-[4-[[(5-chloro-2-thiophenyl)sulfonylamino]-oxomethyl]-2-methyl-1-piperazinyl]-5-cyano-2-methyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[4-[(5-chlorothiophen-2-yl)sulfonylcarbamoyl]-2-methylpiperazin-1-yl]-5-cyano-2-methylpyridine-3-carboxylate Traditional Name: 6-[4-[(5-chloro-2-thienyl)sulfonylcarbamoyl]-2-methyl-piperazino]-5-cyano-2-methyl-nicotinic acid ethyl ester Formula: C20H22ClN5O5S2 MolecularWeight: 512.00218

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)N2CCN(CC2C)C(=O)NS(=O)(=O)C3=CC=C(S3)Cl)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)N2CCN(CC2C)C(=O)NS(=O)(=O)C3=CC=C(S3)Cl)C

InChI

InChI=1S/C20H22ClN5O5S2/c1-4-31-19(27)15-9-14(10-22)18(23-13(15)3)26-8-7-25(11-12(26)2)20(28)24-33(29,30)17-6-5-16(21)32-17/h5-6,9,12H,4,7-8,11H2,1-3H3,(H,24,28)