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

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-N-(2-ethoxy-5-morpholin-4-ylsulfonyl-phenyl)ethanamide Openeye Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-N-(2-ethoxy-5-morpholinosulfonyl-phenyl)acetamide CAS Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-N-[2-ethoxy-5-(4-morpholinylsulfonyl)phenyl]acetamide IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)acetamide Traditional Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-N-(2-ethoxy-5-morpholinosulfonyl-phenyl)acetamide Formula: C23H29N3O5S2 MolecularWeight: 491.62346

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CN3CCCSC4=CC=CC=C43

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CN3CCCSC4=CC=CC=C43

InChI

InChI=1S/C23H29N3O5S2/c1-2-31-21-9-8-18(33(28,29)26-11-13-30-14-12-26)16-19(21)24-23(27)17-25-10-5-15-32-22-7-4-3-6-20(22)25/h3-4,6-9,16H,2,5,10-15,17H2,1H3,(H,24,27)