N-[2-(cyclohexen-1-yl)ethyl]-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: N-[2-(cyclohexen-1-yl)ethyl]-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-[2-(cyclohexen-1-yl)ethyl]-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-[2-(1-cyclohexenyl)ethyl]-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-[2-(cyclohexen-1-yl)ethyl]-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-[2-(cyclohexen-1-yl)ethyl]-2-esyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C20H28N2O3S MolecularWeight: 376.51292

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NCCC3=CCCCC3

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NCCC3=CCCCC3

InChI

InChI=1S/C20H28N2O3S/c1-2-26(24,25)22-15-18-11-7-6-10-17(18)14-19(22)20(23)21-13-12-16-8-4-3-5-9-16/h6-8,10-11,19H,2-5,9,12-15H2,1H3,(H,21,23)