[2-[(2-methyl-5-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] (1S,2S)-2-methylcyclopropane-1-carboxylate

Systemtic Name: [2-[(2-methyl-5-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] (1S,2S)-2-methylcyclopropane-1-carboxylate Openeye Name: [2-(2-methyl-5-morpholinosulfonyl-anilino)-2-oxo-ethyl] (1S,2S)-2-methylcyclopropanecarboxylate CAS Name: (1S,2S)-2-methyl-1-cyclopropanecarboxylic acid [2-[2-methyl-5-(4-morpholinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] (1S,2S)-2-methylcyclopropane-1-carboxylate Traditional Name: (1S,2S)-2-methylcyclopropanecarboxylic acid [2-keto-2-(2-methyl-5-morpholinosulfonyl-anilino)ethyl] ester Formula: C18H24N2O6S MolecularWeight: 396.45796

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC1C(=O)OCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)C

Isomeric SMILES

C[C@H]1C[C@@H]1C(=O)OCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)C

InChI

InChI=1S/C18H24N2O6S/c1-12-3-4-14(27(23,24)20-5-7-25-8-6-20)10-16(12)19-17(21)11-26-18(22)15-9-13(15)2/h3-4,10,13,15H,5-9,11H2,1-2H3,(H,19,21)/t13-,15-/m0/s1