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

Systemtic Name: ethyl 5-chloranyl-6-[4-(phenylsulfonylcarbamoyl)piperazin-1-yl]pyridine-3-carboxylate Openeye Name: ethyl 6-[4-(benzenesulfonylcarbamoyl)piperazin-1-yl]-5-chloro-pyridine-3-carboxylate CAS Name: 6-[4-[benzenesulfonamido(oxo)methyl]-1-piperazinyl]-5-chloro-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[4-(benzenesulfonylcarbamoyl)piperazin-1-yl]-5-chloropyridine-3-carboxylate Traditional Name: 6-[4-(besylcarbamoyl)piperazino]-5-chloro-nicotinic acid ethyl ester Formula: C19H21ClN4O5S MolecularWeight: 452.91184

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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=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H21ClN4O5S/c1-2-29-18(25)14-12-16(20)17(21-13-14)23-8-10-24(11-9-23)19(26)22-30(27,28)15-6-4-3-5-7-15/h3-7,12-13H,2,8-11H2,1H3,(H,22,26)