[2-[(3-morpholin-4-ylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 5-methylpyrazine-2-carboxylate

Systemtic Name: [2-[(3-morpholin-4-ylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 5-methylpyrazine-2-carboxylate Openeye Name: [2-(3-morpholinosulfonylanilino)-2-oxo-ethyl] 5-methylpyrazine-2-carboxylate CAS Name: 5-methyl-2-pyrazinecarboxylic acid [2-[3-(4-morpholinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate Traditional Name: 5-methylpyrazinic acid [2-keto-2-(3-morpholinosulfonylanilino)ethyl] ester Formula: C18H20N4O6S MolecularWeight: 420.4396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N=C1)C(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=NC=C(N=C1)C(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C18H20N4O6S/c1-13-10-20-16(11-19-13)18(24)28-12-17(23)21-14-3-2-4-15(9-14)29(25,26)22-5-7-27-8-6-22/h2-4,9-11H,5-8,12H2,1H3,(H,21,23)