2-ethylsulfonyl-N-(3-phenylsulfanylpropyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: 2-ethylsulfonyl-N-(3-phenylsulfanylpropyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-ethylsulfonyl-N-(3-phenylsulfanylpropyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-ethylsulfonyl-N-[3-(phenylthio)propyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-ethylsulfonyl-N-(3-phenylsulfanylpropyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-esyl-N-[3-(phenylthio)propyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C21H26N2O3S2 MolecularWeight: 418.57274

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NCCCSC3=CC=CC=C3

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NCCCSC3=CC=CC=C3

InChI

InChI=1S/C21H26N2O3S2/c1-2-28(25,26)23-16-18-10-7-6-9-17(18)15-20(23)21(24)22-13-8-14-27-19-11-4-3-5-12-19/h3-7,9-12,20H,2,8,13-16H2,1H3,(H,22,24)