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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2CCC3=CC=CC=C3C2)S(=O)(=O)C4=CC=CC5=NSN=C54

Isomeric SMILES

C1CN(CCC1C(=O)N2CCC3=CC=CC=C3C2)S(=O)(=O)C4=CC=CC5=NSN=C54

InChI

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