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

Systemtic Name: (3R)-N-(3-morpholin-4-ium-4-ylpropyl)-2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3R)-N-(3-morpholin-4-ium-4-ylpropyl)-2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3R)-N-[3-(4-morpholin-4-iumyl)propyl]-2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3R)-N-(3-morpholin-4-ium-4-ylpropyl)-2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3R)-N-(3-morpholin-4-ium-4-ylpropyl)-2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C21H28N3O4S2+ MolecularWeight: 450.59472

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1COCC[NH+]1CCCNC(=O)[C@H]2CC3=CC=CC=C3CN2S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C21H27N3O4S2/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)/p+1/t19-/m1/s1