N-[3-(dimethylamino)propyl]-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: N-[3-(dimethylamino)propyl]-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-[3-(dimethylamino)propyl]-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-[3-(dimethylamino)propyl]-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-[3-(dimethylamino)propyl]-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-[3-(dimethylamino)propyl]-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C22H29N3O4S MolecularWeight: 431.54836

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCNC(=O)C1CC2=CC=CC=C2CN1S(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CN(C)CCCNC(=O)C1CC2=CC=CC=C2CN1S(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H29N3O4S/c1-24(2)14-6-13-23-22(26)21-15-17-7-4-5-8-18(17)16-25(21)30(27,28)20-11-9-19(29-3)10-12-20/h4-5,7-12,21H,6,13-16H2,1-3H3,(H,23,26)