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

Systemtic Name: N-[(3-methoxyphenyl)methyl]-2-(2-methyl-4-oxidanylidene-7-piperidin-1-ylsulfonyl-2,3-dihydro-1,5-benzothiazepin-5-yl)ethanamide Openeye Name: N-[(3-methoxyphenyl)methyl]-2-[2-methyl-4-oxo-7-(1-piperidylsulfonyl)-2,3-dihydro-1,5-benzothiazepin-5-yl]acetamide CAS Name: N-[(3-methoxyphenyl)methyl]-2-[2-methyl-4-oxo-7-(1-piperidinylsulfonyl)-2,3-dihydro-1,5-benzothiazepin-5-yl]acetamide IUPAC Name: N-[(3-methoxyphenyl)methyl]-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-m-anisyl-acetamide Formula: C25H31N3O5S2 MolecularWeight: 517.66074

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)N(C2=C(S1)C=CC(=C2)S(=O)(=O)N3CCCCC3)CC(=O)NCC4=CC(=CC=C4)OC

Isomeric SMILES

CC1CC(=O)N(C2=C(S1)C=CC(=C2)S(=O)(=O)N3CCCCC3)CC(=O)NCC4=CC(=CC=C4)OC

InChI

InChI=1S/C25H31N3O5S2/c1-18-13-25(30)28(17-24(29)26-16-19-7-6-8-20(14-19)33-2)22-15-21(9-10-23(22)34-18)35(31,32)27-11-4-3-5-12-27/h6-10,14-15,18H,3-5,11-13,16-17H2,1-2H3,(H,26,29)