N-(3-morpholin-4-ylpropyl)-2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide hydrochloride

Systemtic Name: N-(3-morpholin-4-ylpropyl)-2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide hydrochloride Openeye Name: N-(3-morpholinopropyl)-2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide hydrochloride CAS Name: N-[3-(4-morpholinyl)propyl]-2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide hydrochloride IUPAC Name: N-(3-morpholin-4-ylpropyl)-2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide hydrochloride Traditional Name: N-(3-morpholinopropyl)-2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide hydrochloride Formula: C21H28ClN3O4S2 MolecularWeight: 486.04772

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCNC(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)C4=CC=CS4.Cl

Isomeric SMILES

C1COCCN1CCCNC(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)C4=CC=CS4.Cl

InChI

InChI=1S/C21H27N3O4S2.ClH/c25-21(22-8-4-9-23-10-12-28-13-11-23)19-15-17-5-1-2-6-18(17)16-24(19)30(26,27)20-7-3-14-29-20;/h1-3,5-7,14,19H,4,8-13,15-16H2,(H,22,25);1H