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

Systemtic Name: [2-[(5-bromanyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl] 4-chloranyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-[(5-bromothiazol-2-yl)amino]-2-oxo-ethyl] 4-chloro-3-morpholinosulfonyl-benzoate CAS Name: 4-chloro-3-(4-morpholinylsulfonyl)benzoic acid [2-[(5-bromo-2-thiazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(5-bromo-1,3-thiazol-2-yl)amino]-2-oxoethyl] 4-chloro-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-chloro-3-morpholinosulfonyl-benzoic acid [2-[(5-bromothiazol-2-yl)amino]-2-keto-ethyl] ester Formula: C16H15BrClN3O6S2 MolecularWeight: 524.7938

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)NC3=NC=C(S3)Br)Cl

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)NC3=NC=C(S3)Br)Cl

InChI

InChI=1S/C16H15BrClN3O6S2/c17-13-8-19-16(28-13)20-14(22)9-27-15(23)10-1-2-11(18)12(7-10)29(24,25)21-3-5-26-6-4-21/h1-2,7-8H,3-6,9H2,(H,19,20,22)