3-methylbutyl 5-chloranyl-6-[4-[(5-chloranylthiophen-2-yl)sulfonylcarbamoyl]piperazin-1-yl]pyridine-3-carboxylate

Systemtic Name: 3-methylbutyl 5-chloranyl-6-[4-[(5-chloranylthiophen-2-yl)sulfonylcarbamoyl]piperazin-1-yl]pyridine-3-carboxylate Openeye Name: isopentyl 5-chloro-6-[4-[(5-chloro-2-thienyl)sulfonylcarbamoyl]piperazin-1-yl]pyridine-3-carboxylate CAS Name: 5-chloro-6-[4-[[(5-chloro-2-thiophenyl)sulfonylamino]-oxomethyl]-1-piperazinyl]-3-pyridinecarboxylic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 5-chloro-6-[4-[(5-chlorothiophen-2-yl)sulfonylcarbamoyl]piperazin-1-yl]pyridine-3-carboxylate Traditional Name: 5-chloro-6-[4-[(5-chloro-2-thienyl)sulfonylcarbamoyl]piperazino]nicotinic acid isoamyl ester Formula: C20H24Cl2N4O5S2 MolecularWeight: 535.46436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24Cl2N4O5S2/c1-13(2)5-10-31-19(27)14-11-15(21)18(23-12-14)25-6-8-26(9-7-25)20(28)24-33(29,30)17-4-3-16(22)32-17/h3-4,11-13H,5-10H2,1-2H3,(H,24,28)