N-[4-(diethylamino)phenyl]-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: N-[4-(diethylamino)phenyl]-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-[4-(diethylamino)phenyl]-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-[4-(diethylamino)phenyl]-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-[4-(diethylamino)phenyl]-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-[4-(diethylamino)phenyl]-2-esyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)NC(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)CC

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)NC(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)CC

InChI

InChI=1S/C22H29N3O3S/c1-4-24(5-2)20-13-11-19(12-14-20)23-22(26)21-15-17-9-7-8-10-18(17)16-25(21)29(27,28)6-3/h7-14,21H,4-6,15-16H2,1-3H3,(H,23,26)