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

Systemtic Name: ethyl 5-chloranyl-6-[4-[(2-methylphenyl)sulfonylcarbamoyl]piperazin-1-yl]pyridine-3-carboxylate Openeye Name: ethyl 5-chloro-6-[4-(o-tolylsulfonylcarbamoyl)piperazin-1-yl]pyridine-3-carboxylate CAS Name: 5-chloro-6-[4-[[(2-methylphenyl)sulfonylamino]-oxomethyl]-1-piperazinyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-chloro-6-[4-[(2-methylphenyl)sulfonylcarbamoyl]piperazin-1-yl]pyridine-3-carboxylate Traditional Name: 5-chloro-6-[4-(o-tolylsulfonylcarbamoyl)piperazino]nicotinic acid ethyl ester Formula: C20H23ClN4O5S MolecularWeight: 466.93842

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(N=C1)N2CCN(CC2)C(=O)NS(=O)(=O)C3=CC=CC=C3C)Cl

Isomeric SMILES

CCOC(=O)C1=CC(=C(N=C1)N2CCN(CC2)C(=O)NS(=O)(=O)C3=CC=CC=C3C)Cl

InChI

InChI=1S/C20H23ClN4O5S/c1-3-30-19(26)15-12-16(21)18(22-13-15)24-8-10-25(11-9-24)20(27)23-31(28,29)17-7-5-4-6-14(17)2/h4-7,12-13H,3,8-11H2,1-2H3,(H,23,27)