2-ethylsulfonyl-N-(2-morpholin-4-yl-2-thiophen-2-yl-ethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: 2-ethylsulfonyl-N-(2-morpholin-4-yl-2-thiophen-2-yl-ethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-ethylsulfonyl-N-[2-morpholino-2-(2-thienyl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-ethylsulfonyl-N-[2-(4-morpholinyl)-2-thiophen-2-ylethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-ethylsulfonyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-esyl-N-[2-morpholino-2-(2-thienyl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C22H29N3O4S2 MolecularWeight: 463.61336

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NCC(C3=CC=CS3)N4CCOCC4

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NCC(C3=CC=CS3)N4CCOCC4

InChI

InChI=1S/C22H29N3O4S2/c1-2-31(27,28)25-16-18-7-4-3-6-17(18)14-19(25)22(26)23-15-20(21-8-5-13-30-21)24-9-11-29-12-10-24/h3-8,13,19-20H,2,9-12,14-16H2,1H3,(H,23,26)