N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-esyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C22H28ClN3O3S MolecularWeight: 449.99402

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NCC(C3=CC=CC=C3Cl)N(C)C

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NCC(C3=CC=CC=C3Cl)N(C)C

InChI

InChI=1S/C22H28ClN3O3S/c1-4-30(28,29)26-15-17-10-6-5-9-16(17)13-20(26)22(27)24-14-21(25(2)3)18-11-7-8-12-19(18)23/h5-12,20-21H,4,13-15H2,1-3H3,(H,24,27)