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

Systemtic Name: N-ethyl-2-(2-methyl-4-oxidanylidene-7-piperidin-1-ylsulfonyl-2,3-dihydro-1,5-benzothiazepin-5-yl)-N-phenyl-ethanamide Openeye Name: N-ethyl-2-[2-methyl-4-oxo-7-(1-piperidylsulfonyl)-2,3-dihydro-1,5-benzothiazepin-5-yl]-N-phenyl-acetamide CAS Name: N-ethyl-2-[2-methyl-4-oxo-7-(1-piperidinylsulfonyl)-2,3-dihydro-1,5-benzothiazepin-5-yl]-N-phenylacetamide IUPAC Name: N-ethyl-2-(2-methyl-4-oxo-7-piperidin-1-ylsulfonyl-2,3-dihydro-1,5-benzothiazepin-5-yl)-N-phenylacetamide Traditional Name: N-ethyl-2-(4-keto-2-methyl-7-piperidinosulfonyl-2,3-dihydro-1,5-benzothiazepin-5-yl)-N-phenyl-acetamide Formula: C25H31N3O4S2 MolecularWeight: 501.66134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)C(=O)CN2C(=O)CC(SC3=C2C=C(C=C3)S(=O)(=O)N4CCCCC4)C

Isomeric SMILES

CCN(C1=CC=CC=C1)C(=O)CN2C(=O)CC(SC3=C2C=C(C=C3)S(=O)(=O)N4CCCCC4)C

InChI

InChI=1S/C25H31N3O4S2/c1-3-27(20-10-6-4-7-11-20)25(30)18-28-22-17-21(34(31,32)26-14-8-5-9-15-26)12-13-23(22)33-19(2)16-24(28)29/h4,6-7,10-13,17,19H,3,5,8-9,14-16,18H2,1-2H3