2-(azepan-1-ylcarbonyl)-6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4H-1,4-benzothiazin-3-one

Systemtic Name: 2-(azepan-1-ylcarbonyl)-6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4H-1,4-benzothiazin-3-one Openeye Name: 2-(azepane-1-carbonyl)-6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4H-1,4-benzothiazin-3-one CAS Name: 2-[1-azepanyl(oxo)methyl]-6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4H-1,4-benzothiazin-3-one IUPAC Name: 2-(azepane-1-carbonyl)-6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4H-1,4-benzothiazin-3-one Traditional Name: 2-(azepane-1-carbonyl)-6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4H-1,4-benzothiazin-3-one Formula: C24H27N3O4S2 MolecularWeight: 485.61888

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2C(=O)NC3=C(S2)C=CC(=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

C1CCCN(CC1)C(=O)C2C(=O)NC3=C(S2)C=CC(=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C24H27N3O4S2/c28-23-22(24(29)26-12-5-1-2-6-13-26)32-21-10-9-19(15-20(21)25-23)33(30,31)27-14-11-17-7-3-4-8-18(17)16-27/h3-4,7-10,15,22H,1-2,5-6,11-14,16H2,(H,25,28)