N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-(6-morpholin-4-ylsulfonyl-3-oxidanylidene-1,4-benzothiazin-4-yl)ethanamide

Systemtic Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-(6-morpholin-4-ylsulfonyl-3-oxidanylidene-1,4-benzothiazin-4-yl)ethanamide Openeye Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-(6-morpholinosulfonyl-3-oxo-1,4-benzothiazin-4-yl)acetamide CAS Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-[6-(4-morpholinylsulfonyl)-3-oxo-1,4-benzothiazin-4-yl]acetamide IUPAC Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-(6-morpholin-4-ylsulfonyl-3-oxo-1,4-benzothiazin-4-yl)acetamide Traditional Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-(3-keto-6-morpholinosulfonyl-1,4-benzothiazin-4-yl)acetamide Formula: C26H32N4O5S2 MolecularWeight: 544.68608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)CCCNC(=O)CN3C(=O)CSC4=C3C=C(C=C4)S(=O)(=O)N5CCOCC5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)CCCNC(=O)CN3C(=O)CSC4=C3C=C(C=C4)S(=O)(=O)N5CCOCC5

InChI

InChI=1S/C26H32N4O5S2/c31-25(27-9-3-10-28-11-8-20-4-1-2-5-21(20)17-28)18-30-23-16-22(6-7-24(23)36-19-26(30)32)37(33,34)29-12-14-35-15-13-29/h1-2,4-7,16H,3,8-15,17-19H2,(H,27,31)