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

Systemtic Name: N-(3-cyclohexyloxypropyl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-[3-(cyclohexoxy)propyl]-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-(3-cyclohexyloxypropyl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-(3-cyclohexyloxypropyl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-[3-(cyclohexoxy)propyl]-2-esyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C21H32N2O4S MolecularWeight: 408.55478

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NCCCOC3CCCCC3

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NCCCOC3CCCCC3

InChI

InChI=1S/C21H32N2O4S/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/h6-7,9-10,19-20H,2-5,8,11-16H2,1H3,(H,22,24)