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

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

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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)NC4=CC=CC(=C4C)C

Isomeric SMILES

CC1CC(=O)N(C2=C(S1)C=CC(=C2)S(=O)(=O)N3CCCCC3)CC(=O)NC4=CC=CC(=C4C)C

InChI

InChI=1S/C25H31N3O4S2/c1-17-8-7-9-21(19(17)3)26-24(29)16-28-22-15-20(34(31,32)27-12-5-4-6-13-27)10-11-23(22)33-18(2)14-25(28)30/h7-11,15,18H,4-6,12-14,16H2,1-3H3,(H,26,29)