2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-N-(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)ethanamide

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-N-(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)ethanamide Openeye Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-N-(4-methyl-3-morpholinosulfonyl-phenyl)acetamide CAS Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-N-[4-methyl-3-(4-morpholinylsulfonyl)phenyl]acetamide IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide Traditional Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-N-(4-methyl-3-morpholinosulfonyl-phenyl)acetamide Formula: C22H27N3O4S2 MolecularWeight: 461.59748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CN2CCCSC3=CC=CC=C32)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CN2CCCSC3=CC=CC=C32)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C22H27N3O4S2/c1-17-7-8-18(15-21(17)31(27,28)25-10-12-29-13-11-25)23-22(26)16-24-9-4-14-30-20-6-3-2-5-19(20)24/h2-3,5-8,15H,4,9-14,16H2,1H3,(H,23,26)