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

Systemtic Name: N-methyl-2-(2-methyl-4-oxidanylidene-7-piperidin-1-ylsulfonyl-2,3-dihydro-1,5-benzothiazepin-5-yl)-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-N-methyl-2-[2-methyl-4-oxo-7-(1-piperidylsulfonyl)-2,3-dihydro-1,5-benzothiazepin-5-yl]acetamide CAS Name: N-methyl-2-[2-methyl-4-oxo-7-(1-piperidinylsulfonyl)-2,3-dihydro-1,5-benzothiazepin-5-yl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-N-methyl-2-(2-methyl-4-oxo-7-piperidin-1-ylsulfonyl-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide Traditional Name: N-benzyl-2-(4-keto-2-methyl-7-piperidinosulfonyl-2,3-dihydro-1,5-benzothiazepin-5-yl)-N-methyl-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)N(C)CC4=CC=CC=C4

Isomeric SMILES

CC1CC(=O)N(C2=C(S1)C=CC(=C2)S(=O)(=O)N3CCCCC3)CC(=O)N(C)CC4=CC=CC=C4

InChI

InChI=1S/C25H31N3O4S2/c1-19-15-24(29)28(18-25(30)26(2)17-20-9-5-3-6-10-20)22-16-21(11-12-23(22)33-19)34(31,32)27-13-7-4-8-14-27/h3,5-6,9-12,16,19H,4,7-8,13-15,17-18H2,1-2H3