[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxidanylidene-ethyl] 2-chloranyl-5-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxidanylidene-ethyl] 2-chloranyl-5-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-[(3-methylisoxazol-5-yl)amino]-2-oxo-ethyl] 2-chloro-5-morpholinosulfonyl-benzoate CAS Name: 2-chloro-5-(4-morpholinylsulfonyl)benzoic acid [2-[(3-methyl-5-isoxazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 2-chloro-5-morpholin-4-ylsulfonylbenzoate Traditional Name: 2-chloro-5-morpholinosulfonyl-benzoic acid [2-keto-2-[(3-methylisoxazol-5-yl)amino]ethyl] ester Formula: C17H18ClN3O7S MolecularWeight: 443.85872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)NC(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl

Isomeric SMILES

CC1=NOC(=C1)NC(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl

InChI

InChI=1S/C17H18ClN3O7S/c1-11-8-16(28-20-11)19-15(22)10-27-17(23)13-9-12(2-3-14(13)18)29(24,25)21-4-6-26-7-5-21/h2-3,8-9H,4-7,10H2,1H3,(H,19,22)