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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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