N-(2-ethoxyphenyl)-2-(2-methyl-4-oxidanylidene-7-piperidin-1-ylsulfonyl-2,3-dihydro-1,5-benzothiazepin-5-yl)ethanamide

Systemtic Name: N-(2-ethoxyphenyl)-2-(2-methyl-4-oxidanylidene-7-piperidin-1-ylsulfonyl-2,3-dihydro-1,5-benzothiazepin-5-yl)ethanamide Openeye Name: N-(2-ethoxyphenyl)-2-[2-methyl-4-oxo-7-(1-piperidylsulfonyl)-2,3-dihydro-1,5-benzothiazepin-5-yl]acetamide CAS Name: N-(2-ethoxyphenyl)-2-[2-methyl-4-oxo-7-(1-piperidinylsulfonyl)-2,3-dihydro-1,5-benzothiazepin-5-yl]acetamide IUPAC Name: N-(2-ethoxyphenyl)-2-(2-methyl-4-oxo-7-piperidin-1-ylsulfonyl-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide Traditional Name: 2-(4-keto-2-methyl-7-piperidinosulfonyl-2,3-dihydro-1,5-benzothiazepin-5-yl)-N-o-phenetyl-acetamide Formula: C25H31N3O5S2 MolecularWeight: 517.66074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)CN2C(=O)CC(SC3=C2C=C(C=C3)S(=O)(=O)N4CCCCC4)C

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)CN2C(=O)CC(SC3=C2C=C(C=C3)S(=O)(=O)N4CCCCC4)C

InChI

InChI=1S/C25H31N3O5S2/c1-3-33-22-10-6-5-9-20(22)26-24(29)17-28-21-16-19(35(31,32)27-13-7-4-8-14-27)11-12-23(21)34-18(2)15-25(28)30/h5-6,9-12,16,18H,3-4,7-8,13-15,17H2,1-2H3,(H,26,29)