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

Systemtic Name: 2-ethylsulfonyl-N-(4-phenylbutan-2-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-ethylsulfonyl-N-(1-methyl-3-phenyl-propyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-ethylsulfonyl-N-(4-phenylbutan-2-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-ethylsulfonyl-N-(4-phenylbutan-2-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-esyl-N-(1-methyl-3-phenyl-propyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C22H28N2O3S MolecularWeight: 400.53432

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NC(C)CCC3=CC=CC=C3

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NC(C)CCC3=CC=CC=C3

InChI

InChI=1S/C22H28N2O3S/c1-3-28(26,27)24-16-20-12-8-7-11-19(20)15-21(24)22(25)23-17(2)13-14-18-9-5-4-6-10-18/h4-12,17,21H,3,13-16H2,1-2H3,(H,23,25)