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

Systemtic Name: (2-chloranyl-5-methylsulfonyl-phenyl)-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone Openeye Name: (2-chloro-5-methylsulfonyl-phenyl)-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone CAS Name: (2-chloro-5-methylsulfonylphenyl)-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone IUPAC Name: (2-chloro-5-methylsulfonylphenyl)-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone Traditional Name: (2-chloro-5-mesyl-phenyl)-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone Formula: C18H18ClNO3S2 MolecularWeight: 395.92342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClNO3S2/c1-12-9-10-20(16-5-3-4-6-17(16)24-12)18(21)14-11-13(25(2,22)23)7-8-15(14)19/h3-8,11-12H,9-10H2,1-2H3