5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]-2-methyl-7-piperidin-1-ylsulfonyl-2,3-dihydro-1,5-benzothiazepin-4-one

Systemtic Name: 5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]-2-methyl-7-piperidin-1-ylsulfonyl-2,3-dihydro-1,5-benzothiazepin-4-one Openeye Name: 5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl]-2-methyl-7-(1-piperidylsulfonyl)-2,3-dihydro-1,5-benzothiazepin-4-one CAS Name: 5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-methyl-7-(1-piperidinylsulfonyl)-2,3-dihydro-1,5-benzothiazepin-4-one IUPAC Name: 5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-methyl-7-piperidin-1-ylsulfonyl-2,3-dihydro-1,5-benzothiazepin-4-one Traditional Name: 5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-keto-ethyl]-2-methyl-7-piperidinosulfonyl-2,3-dihydro-1,5-benzothiazepin-4-one Formula: C26H31N3O4S2 MolecularWeight: 513.67204

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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)N4CCCC5=CC=CC=C54

Isomeric SMILES

CC1CC(=O)N(C2=C(S1)C=CC(=C2)S(=O)(=O)N3CCCCC3)CC(=O)N4CCCC5=CC=CC=C54

InChI

InChI=1S/C26H31N3O4S2/c1-19-16-25(30)29(18-26(31)28-15-7-9-20-8-3-4-10-22(20)28)23-17-21(11-12-24(23)34-19)35(32,33)27-13-5-2-6-14-27/h3-4,8,10-12,17,19H,2,5-7,9,13-16,18H2,1H3