7-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)piperidin-1-yl]sulfonyl-2-methyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one

Systemtic Name: 7-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)piperidin-1-yl]sulfonyl-2-methyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Openeye Name: 7-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1-piperidyl]sulfonyl]-2-methyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one CAS Name: 7-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1-piperidinyl]sulfonyl]-2-methyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one IUPAC Name: 7-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)piperidin-1-yl]sulfonyl-2-methyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Traditional Name: 7-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)piperidino]sulfonyl-2-methyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Formula: C25H31N3O3S2 MolecularWeight: 485.66194

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NC2=C(S1)C=CC(=C2)S(=O)(=O)N3CCC(CC3)CN4CCC5=CC=CC=C5C4

Isomeric SMILES

CC1CC(=O)NC2=C(S1)C=CC(=C2)S(=O)(=O)N3CCC(CC3)CN4CCC5=CC=CC=C5C4

InChI

InChI=1S/C25H31N3O3S2/c1-18-14-25(29)26-23-15-22(6-7-24(23)32-18)33(30,31)28-12-8-19(9-13-28)16-27-11-10-20-4-2-3-5-21(20)17-27/h2-7,15,18-19H,8-14,16-17H2,1H3,(H,26,29)