[4-(diphenylmethyl)piperazin-1-yl]-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)methanone hydrochloride

Systemtic Name: [4-(diphenylmethyl)piperazin-1-yl]-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)methanone hydrochloride Openeye Name: (4-benzhydrylpiperazin-1-yl)-[2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinolin-3-yl]methanone hydrochloride CAS Name: [4-(diphenylmethyl)-1-piperazinyl]-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)methanone hydrochloride IUPAC Name: (4-benzhydrylpiperazin-1-yl)-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)methanone hydrochloride Traditional Name: (4-benzhydrylpiperazino)-[2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinolin-3-yl]methanone hydrochloride Formula: C31H32ClN3O3S2 MolecularWeight: 594.18708

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4CC5=CC=CC=C5CN4S(=O)(=O)C6=CC=CS6.Cl

Isomeric SMILES

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4CC5=CC=CC=C5CN4S(=O)(=O)C6=CC=CS6.Cl

InChI

InChI=1S/C31H31N3O3S2.ClH/c35-31(28-22-26-14-7-8-15-27(26)23-34(28)39(36,37)29-16-9-21-38-29)33-19-17-32(18-20-33)30(24-10-3-1-4-11-24)25-12-5-2-6-13-25;/h1-16,21,28,30H,17-20,22-23H2;1H