[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidin-3-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone

Systemtic Name: [1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidin-3-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone Openeye Name: [1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-3-piperidyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone CAS Name: [1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-3-piperidinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone IUPAC Name: [1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidin-3-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone Traditional Name: 3,4-dihydro-1H-isoquinolin-2-yl-(1-piazthiol-4-ylsulfonyl-3-piperidyl)methanone Formula: C21H22N4O3S2 MolecularWeight: 442.55438

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=CC3=NSN=C32)C(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=CC3=NSN=C32)C(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C21H22N4O3S2/c26-21(24-12-10-15-5-1-2-6-16(15)13-24)17-7-4-11-25(14-17)30(27,28)19-9-3-8-18-20(19)23-29-22-18/h1-3,5-6,8-9,17H,4,7,10-14H2