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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NCCCN(C)C3=CC=CC=C3

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NCCCN(C)C3=CC=CC=C3

InChI

InChI=1S/C22H29N3O3S/c1-3-29(27,28)25-17-19-11-8-7-10-18(19)16-21(25)22(26)23-14-9-15-24(2)20-12-5-4-6-13-20/h4-8,10-13,21H,3,9,14-17H2,1-2H3,(H,23,26)