methyl 2-[4-(5-morpholin-4-ylsulfonylpyridin-2-yl)piperazin-1-yl]pyridine-3-carboxylate

Systemtic Name: methyl 2-[4-(5-morpholin-4-ylsulfonylpyridin-2-yl)piperazin-1-yl]pyridine-3-carboxylate Openeye Name: methyl 2-[4-(5-morpholinosulfonyl-2-pyridyl)piperazin-1-yl]pyridine-3-carboxylate CAS Name: 2-[4-[5-(4-morpholinylsulfonyl)-2-pyridinyl]-1-piperazinyl]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 2-[4-(5-morpholin-4-ylsulfonylpyridin-2-yl)piperazin-1-yl]pyridine-3-carboxylate Traditional Name: 2-[4-(5-morpholinosulfonyl-2-pyridyl)piperazino]nicotinic acid methyl ester Formula: C20H25N5O5S MolecularWeight: 447.508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N=CC=C1)N2CCN(CC2)C3=NC=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

COC(=O)C1=C(N=CC=C1)N2CCN(CC2)C3=NC=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C20H25N5O5S/c1-29-20(26)17-3-2-6-21-19(17)24-9-7-23(8-10-24)18-5-4-16(15-22-18)31(27,28)25-11-13-30-14-12-25/h2-6,15H,7-14H2,1H3