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

Systemtic Name: N-(4-cyclopentylsulfanylphenyl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-(4-cyclopentylsulfanylphenyl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-[4-(cyclopentylthio)phenyl]-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-(4-cyclopentylsulfanylphenyl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-[4-(cyclopentylthio)phenyl]-2-esyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C23H28N2O3S2 MolecularWeight: 444.61002

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=CC=C(C=C3)SC4CCCC4

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=CC=C(C=C3)SC4CCCC4

InChI

InChI=1S/C23H28N2O3S2/c1-2-30(27,28)25-16-18-8-4-3-7-17(18)15-22(25)23(26)24-19-11-13-21(14-12-19)29-20-9-5-6-10-20/h3-4,7-8,11-14,20,22H,2,5-6,9-10,15-16H2,1H3,(H,24,26)