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

Systemtic Name: ethyl 6-[4-[(5-chloranylthiophen-2-yl)sulfonylcarbamoyl]piperazin-1-yl]-5-cyano-2-methyl-pyridine-3-carboxylate Openeye Name: ethyl 6-[4-[(5-chloro-2-thienyl)sulfonylcarbamoyl]piperazin-1-yl]-5-cyano-2-methyl-pyridine-3-carboxylate CAS Name: 6-[4-[[(5-chloro-2-thiophenyl)sulfonylamino]-oxomethyl]-1-piperazinyl]-5-cyano-2-methyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[4-[(5-chlorothiophen-2-yl)sulfonylcarbamoyl]piperazin-1-yl]-5-cyano-2-methylpyridine-3-carboxylate Traditional Name: 6-[4-[(5-chloro-2-thienyl)sulfonylcarbamoyl]piperazino]-5-cyano-2-methyl-nicotinic acid ethyl ester Formula: C19H20ClN5O5S2 MolecularWeight: 497.9756

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)N2CCN(CC2)C(=O)NS(=O)(=O)C3=CC=C(S3)Cl)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)N2CCN(CC2)C(=O)NS(=O)(=O)C3=CC=C(S3)Cl)C

InChI

InChI=1S/C19H20ClN5O5S2/c1-3-30-18(26)14-10-13(11-21)17(22-12(14)2)24-6-8-25(9-7-24)19(27)23-32(28,29)16-5-4-15(20)31-16/h4-5,10H,3,6-9H2,1-2H3,(H,23,27)