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

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)ethanamide Openeye Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)acetamide CAS Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-N-[4-ethoxy-3-(1-pyrrolidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-N-(4-ethoxy-3-pyrrolidinosulfonyl-phenyl)acetamide Formula: C23H29N3O4S2 MolecularWeight: 475.62406

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)CN2CCCSC3=CC=CC=C32)S(=O)(=O)N4CCCC4

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)CN2CCCSC3=CC=CC=C32)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C23H29N3O4S2/c1-2-30-20-11-10-18(16-22(20)32(28,29)26-13-5-6-14-26)24-23(27)17-25-12-7-15-31-21-9-4-3-8-19(21)25/h3-4,8-11,16H,2,5-7,12-15,17H2,1H3,(H,24,27)