2-methyl-5-(4-methylsulfonylphenyl)sulfonyl-7-(trifluoromethyl)-3,4-dihydro-2H-1,5-benzothiazepine

Systemtic Name: 2-methyl-5-(4-methylsulfonylphenyl)sulfonyl-7-(trifluoromethyl)-3,4-dihydro-2H-1,5-benzothiazepine Openeye Name: 2-methyl-5-(4-methylsulfonylphenyl)sulfonyl-7-(trifluoromethyl)-3,4-dihydro-2H-1,5-benzothiazepine CAS Name: 2-methyl-5-(4-methylsulfonylphenyl)sulfonyl-7-(trifluoromethyl)-3,4-dihydro-2H-1,5-benzothiazepine IUPAC Name: 2-methyl-5-(4-methylsulfonylphenyl)sulfonyl-7-(trifluoromethyl)-3,4-dihydro-2H-1,5-benzothiazepine Traditional Name: 5-(4-mesylphenyl)sulfonyl-2-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-1,5-benzothiazepine Formula: C18H18F3NO4S3 MolecularWeight: 465.53003

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=C(S1)C=CC(=C2)C(F)(F)F)S(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC1CCN(C2=C(S1)C=CC(=C2)C(F)(F)F)S(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C18H18F3NO4S3/c1-12-9-10-22(16-11-13(18(19,20)21)3-8-17(16)27-12)29(25,26)15-6-4-14(5-7-15)28(2,23)24/h3-8,11-12H,9-10H2,1-2H3