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

Systemtic Name: (2-methyl-1,3-benzothiazol-5-yl)methyl 2-chloranyl-5-morpholin-4-ylsulfonyl-benzoate Openeye Name: (2-methyl-1,3-benzothiazol-5-yl)methyl 2-chloro-5-morpholinosulfonyl-benzoate CAS Name: 2-chloro-5-(4-morpholinylsulfonyl)benzoic acid (2-methyl-1,3-benzothiazol-5-yl)methyl ester IUPAC Name: (2-methyl-1,3-benzothiazol-5-yl)methyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate Traditional Name: 2-chloro-5-morpholinosulfonyl-benzoic acid (2-methyl-1,3-benzothiazol-5-yl)methyl ester Formula: C20H19ClN2O5S2 MolecularWeight: 466.95826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=CC(=C2)COC(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)Cl

Isomeric SMILES

CC1=NC2=C(S1)C=CC(=C2)COC(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)Cl

InChI

InChI=1S/C20H19ClN2O5S2/c1-13-22-18-10-14(2-5-19(18)29-13)12-28-20(24)16-11-15(3-4-17(16)21)30(25,26)23-6-8-27-9-7-23/h2-5,10-11H,6-9,12H2,1H3