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

Systemtic Name: N-(2-chloranyl-5-methylsulfonyl-phenyl)-2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanamide Openeye Name: N-(2-chloro-5-methylsulfonyl-phenyl)-2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)acetamide CAS Name: N-(2-chloro-5-methylsulfonylphenyl)-2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)acetamide IUPAC Name: N-(2-chloro-5-methylsulfonylphenyl)-2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)acetamide Traditional Name: N-(2-chloro-5-mesyl-phenyl)-2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)acetamide Formula: C18H19ClN2O3S2 MolecularWeight: 410.93806

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2CCCSC3=CC=CC=C32

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2CCCSC3=CC=CC=C32

InChI

InChI=1S/C18H19ClN2O3S2/c1-26(23,24)13-7-8-14(19)15(11-13)20-18(22)12-21-9-4-10-25-17-6-3-2-5-16(17)21/h2-3,5-8,11H,4,9-10,12H2,1H3,(H,20,22)