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

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-N-(4-morpholin-4-ylsulfonylphenyl)ethanamide Openeye Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-N-(4-morpholinosulfonylphenyl)acetamide CAS Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-N-[4-(4-morpholinylsulfonyl)phenyl]acetamide IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide Traditional Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-N-(4-morpholinosulfonylphenyl)acetamide Formula: C21H25N3O4S2 MolecularWeight: 447.5709

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C2SC1)CC(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

C1CN(C2=CC=CC=C2SC1)CC(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C21H25N3O4S2/c25-21(16-23-10-3-15-29-20-5-2-1-4-19(20)23)22-17-6-8-18(9-7-17)30(26,27)24-11-13-28-14-12-24/h1-2,4-9H,3,10-16H2,(H,22,25)