(2-phenylazanyl-1,3-thiazol-4-yl)methyl 2-chloranyl-5-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: (2-phenylazanyl-1,3-thiazol-4-yl)methyl 2-chloranyl-5-morpholin-4-ylsulfonyl-benzoate Openeye Name: (2-anilinothiazol-4-yl)methyl 2-chloro-5-morpholinosulfonyl-benzoate CAS Name: 2-chloro-5-(4-morpholinylsulfonyl)benzoic acid (2-anilino-4-thiazolyl)methyl ester IUPAC Name: (2-anilino-1,3-thiazol-4-yl)methyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate Traditional Name: 2-chloro-5-morpholinosulfonyl-benzoic acid (2-anilinothiazol-4-yl)methyl ester Formula: C21H20ClN3O5S2 MolecularWeight: 493.9836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClN3O5S2/c22-19-7-6-17(32(27,28)25-8-10-29-11-9-25)12-18(19)20(26)30-13-16-14-31-21(24-16)23-15-4-2-1-3-5-15/h1-7,12,14H,8-11,13H2,(H,23,24)