(4-ethylpiperazin-1-yl)-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)methanone hydrochloride

Systemtic Name: (4-ethylpiperazin-1-yl)-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)methanone hydrochloride Openeye Name: (4-ethylpiperazin-1-yl)-[2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinolin-3-yl]methanone hydrochloride CAS Name: (4-ethyl-1-piperazinyl)-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)methanone hydrochloride IUPAC Name: (4-ethylpiperazin-1-yl)-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)methanone hydrochloride Traditional Name: (4-ethylpiperazino)-[2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinolin-3-yl]methanone hydrochloride Formula: C20H26ClN3O3S2 MolecularWeight: 456.02174

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)C4=CC=CS4.Cl

Isomeric SMILES

CCN1CCN(CC1)C(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)C4=CC=CS4.Cl

InChI

InChI=1S/C20H25N3O3S2.ClH/c1-2-21-9-11-22(12-10-21)20(24)18-14-16-6-3-4-7-17(16)15-23(18)28(25,26)19-8-5-13-27-19;/h3-8,13,18H,2,9-12,14-15H2,1H3;1H