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

Systemtic Name: [(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-(4-methylsulfonylphenyl)methanone Openeye Name: [(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-(4-methylsulfonylphenyl)methanone CAS Name: [(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-(4-methylsulfonylphenyl)methanone IUPAC Name: [(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-(4-methylsulfonylphenyl)methanone Traditional Name: (4-mesylphenyl)-[(2S)-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=C(C=C3)S(=O)(=O)C

Isomeric SMILES

C[C@H]1CCN(C2=CC=CC=C2S1)C(=O)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C18H19NO3S2/c1-13-11-12-19(16-5-3-4-6-17(16)23-13)18(20)14-7-9-15(10-8-14)24(2,21)22/h3-10,13H,11-12H2,1-2H3/t13-/m0/s1