(2-phenylazanyl-1,3-thiazol-4-yl)methyl 4-bromanyl-3-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: (2-phenylazanyl-1,3-thiazol-4-yl)methyl 4-bromanyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: (2-anilinothiazol-4-yl)methyl 4-bromo-3-morpholinosulfonyl-benzoate CAS Name: 4-bromo-3-(4-morpholinylsulfonyl)benzoic acid (2-anilino-4-thiazolyl)methyl ester IUPAC Name: (2-anilino-1,3-thiazol-4-yl)methyl 4-bromo-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-bromo-3-morpholinosulfonyl-benzoic acid (2-anilinothiazol-4-yl)methyl ester Formula: C21H20BrN3O5S2 MolecularWeight: 538.4346

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=CSC(=N3)NC4=CC=CC=C4)Br

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=CSC(=N3)NC4=CC=CC=C4)Br

InChI

InChI=1S/C21H20BrN3O5S2/c22-18-7-6-15(12-19(18)32(27,28)25-8-10-29-11-9-25)20(26)30-13-17-14-31-21(24-17)23-16-4-2-1-3-5-16/h1-7,12,14H,8-11,13H2,(H,23,24)