(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-(3-methylsulfonylphenyl)methanone

Systemtic Name: (2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-(3-methylsulfonylphenyl)methanone Openeye Name: (2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-(3-methylsulfonylphenyl)methanone CAS Name: (2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-(3-methylsulfonylphenyl)methanone IUPAC Name: (2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-(3-methylsulfonylphenyl)methanone Traditional Name: (3-mesylphenyl)-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone Formula: C18H19NO3S2 MolecularWeight: 361.47836

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)C3=CC(=CC=C3)S(=O)(=O)C

Isomeric SMILES

CC1CCN(C2=CC=CC=C2S1)C(=O)C3=CC(=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C18H19NO3S2/c1-13-10-11-19(16-8-3-4-9-17(16)23-13)18(20)14-6-5-7-15(12-14)24(2,21)22/h3-9,12-13H,10-11H2,1-2H3