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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)N2CCCSC3=CC=CC=C32

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)N2CCCSC3=CC=CC=C32

InChI

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