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

Systemtic Name: N-(furan-2-ylmethyl)-2-(2-methyl-4-oxidanylidene-7-piperidin-1-ylsulfonyl-2,3-dihydro-1,5-benzothiazepin-5-yl)ethanamide Openeye Name: N-(2-furylmethyl)-2-[2-methyl-4-oxo-7-(1-piperidylsulfonyl)-2,3-dihydro-1,5-benzothiazepin-5-yl]acetamide CAS Name: N-(2-furanylmethyl)-2-[2-methyl-4-oxo-7-(1-piperidinylsulfonyl)-2,3-dihydro-1,5-benzothiazepin-5-yl]acetamide IUPAC Name: N-(furan-2-ylmethyl)-2-(2-methyl-4-oxo-7-piperidin-1-ylsulfonyl-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide Traditional Name: N-(2-furfuryl)-2-(4-keto-2-methyl-7-piperidinosulfonyl-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide Formula: C22H27N3O5S2 MolecularWeight: 477.59688

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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=CO4

Isomeric SMILES

CC1CC(=O)N(C2=C(S1)C=CC(=C2)S(=O)(=O)N3CCCCC3)CC(=O)NCC4=CC=CO4

InChI

InChI=1S/C22H27N3O5S2/c1-16-12-22(27)25(15-21(26)23-14-17-6-5-11-30-17)19-13-18(7-8-20(19)31-16)32(28,29)24-9-3-2-4-10-24/h5-8,11,13,16H,2-4,9-10,12,14-15H2,1H3,(H,23,26)