[2-[(4-morpholin-4-ylsulfonylphenyl)methylamino]-2-oxidanylidene-ethyl] 1-methylpyrazole-4-carboxylate

Systemtic Name: [2-[(4-morpholin-4-ylsulfonylphenyl)methylamino]-2-oxidanylidene-ethyl] 1-methylpyrazole-4-carboxylate Openeye Name: [2-[(4-morpholinosulfonylphenyl)methylamino]-2-oxo-ethyl] 1-methylpyrazole-4-carboxylate CAS Name: 1-methyl-4-pyrazolecarboxylic acid [2-[[4-(4-morpholinylsulfonyl)phenyl]methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-morpholin-4-ylsulfonylphenyl)methylamino]-2-oxoethyl] 1-methylpyrazole-4-carboxylate Traditional Name: 1-methylpyrazole-4-carboxylic acid [2-keto-2-[(4-morpholinosulfonylbenzyl)amino]ethyl] ester Formula: C18H22N4O6S MolecularWeight: 422.45548

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C(=O)OCC(=O)NCC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CN1C=C(C=N1)C(=O)OCC(=O)NCC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C18H22N4O6S/c1-21-12-15(11-20-21)18(24)28-13-17(23)19-10-14-2-4-16(5-3-14)29(25,26)22-6-8-27-9-7-22/h2-5,11-12H,6-10,13H2,1H3,(H,19,23)