methyl 5-morpholin-4-ylsulfonyl-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyridine-3-carboxylate

Systemtic Name: methyl 5-morpholin-4-ylsulfonyl-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyridine-3-carboxylate Openeye Name: methyl 5-morpholinosulfonyl-6-(4-thiazol-2-ylpiperazin-1-yl)pyridine-3-carboxylate CAS Name: 5-(4-morpholinylsulfonyl)-6-[4-(2-thiazolyl)-1-piperazinyl]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-morpholin-4-ylsulfonyl-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyridine-3-carboxylate Traditional Name: 5-morpholinosulfonyl-6-(4-thiazol-2-ylpiperazino)nicotinic acid methyl ester Formula: C18H23N5O5S2 MolecularWeight: 453.53572

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(N=C1)N2CCN(CC2)C3=NC=CS3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

COC(=O)C1=CC(=C(N=C1)N2CCN(CC2)C3=NC=CS3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C18H23N5O5S2/c1-27-17(24)14-12-15(30(25,26)23-7-9-28-10-8-23)16(20-13-14)21-3-5-22(6-4-21)18-19-2-11-29-18/h2,11-13H,3-10H2,1H3