N-(2-ethylphenyl)-2-(4-oxidanylidene-7-pyrrolidin-1-ylsulfonyl-2,3-dihydro-1,5-benzothiazepin-5-yl)ethanamide

Systemtic Name: N-(2-ethylphenyl)-2-(4-oxidanylidene-7-pyrrolidin-1-ylsulfonyl-2,3-dihydro-1,5-benzothiazepin-5-yl)ethanamide Openeye Name: N-(2-ethylphenyl)-2-(4-oxo-7-pyrrolidin-1-ylsulfonyl-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide CAS Name: N-(2-ethylphenyl)-2-[4-oxo-7-(1-pyrrolidinylsulfonyl)-2,3-dihydro-1,5-benzothiazepin-5-yl]acetamide IUPAC Name: N-(2-ethylphenyl)-2-(4-oxo-7-pyrrolidin-1-ylsulfonyl-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide Traditional Name: N-(2-ethylphenyl)-2-(4-keto-7-pyrrolidinosulfonyl-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide Formula: C23H27N3O4S2 MolecularWeight: 473.60818

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)CN2C(=O)CCSC3=C2C=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)CN2C(=O)CCSC3=C2C=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C23H27N3O4S2/c1-2-17-7-3-4-8-19(17)24-22(27)16-26-20-15-18(32(29,30)25-12-5-6-13-25)9-10-21(20)31-14-11-23(26)28/h3-4,7-10,15H,2,5-6,11-14,16H2,1H3,(H,24,27)