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

Systemtic Name: 2-ethylsulfonyl-N-[3-[methyl-(phenylmethyl)amino]propyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-[3-[benzyl(methyl)amino]propyl]-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-ethylsulfonyl-N-[3-[methyl-(phenylmethyl)amino]propyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-[3-[benzyl(methyl)amino]propyl]-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-[3-[benzyl(methyl)amino]propyl]-2-esyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C23H31N3O3S MolecularWeight: 429.57554

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NCCCN(C)CC3=CC=CC=C3

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NCCCN(C)CC3=CC=CC=C3

InChI

InChI=1S/C23H31N3O3S/c1-3-30(28,29)26-18-21-13-8-7-12-20(21)16-22(26)23(27)24-14-9-15-25(2)17-19-10-5-4-6-11-19/h4-8,10-13,22H,3,9,14-18H2,1-2H3,(H,24,27)