N-(furan-2-ylmethyl)-2-[7-(4-methylpiperidin-1-yl)sulfonyl-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl]ethanamide

Systemtic Name: N-(furan-2-ylmethyl)-2-[7-(4-methylpiperidin-1-yl)sulfonyl-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl]ethanamide Openeye Name: N-(2-furylmethyl)-2-[7-[(4-methyl-1-piperidyl)sulfonyl]-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetamide CAS Name: N-(2-furanylmethyl)-2-[7-[(4-methyl-1-piperidinyl)sulfonyl]-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetamide IUPAC Name: N-(furan-2-ylmethyl)-2-[7-(4-methylpiperidin-1-yl)sulfonyl-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetamide Traditional Name: N-(2-furfuryl)-2-[4-keto-7-(4-methylpiperidino)sulfonyl-2,3-dihydro-1,5-benzothiazepin-5-yl]acetamide Formula: C22H27N3O5S2 MolecularWeight: 477.59688

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)SCCC(=O)N3CC(=O)NCC4=CC=CO4

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)SCCC(=O)N3CC(=O)NCC4=CC=CO4

InChI

InChI=1S/C22H27N3O5S2/c1-16-6-9-24(10-7-16)32(28,29)18-4-5-20-19(13-18)25(22(27)8-12-31-20)15-21(26)23-14-17-3-2-11-30-17/h2-5,11,13,16H,6-10,12,14-15H2,1H3,(H,23,26)