7-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3-methyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one

Systemtic Name: 7-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3-methyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Openeye Name: 7-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3-methyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one CAS Name: 7-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3-methyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one IUPAC Name: 7-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3-methyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Traditional Name: 7-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3-methyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Formula: C19H20N2O3S2 MolecularWeight: 388.5037

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Descriptors Computed from Structure

Canonical SMILES:

CC1CSC2=C(C=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3)NC1=O

Isomeric SMILES

CC1CSC2=C(C=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3)NC1=O

InChI

InChI=1S/C19H20N2O3S2/c1-13-12-25-18-7-6-16(10-17(18)20-19(13)22)26(23,24)21-9-8-14-4-2-3-5-15(14)11-21/h2-7,10,13H,8-9,11-12H2,1H3,(H,20,22)