2-ethylsulfonyl-N-[(1-phenylcyclopentyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: 2-ethylsulfonyl-N-[(1-phenylcyclopentyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-ethylsulfonyl-N-[(1-phenylcyclopentyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-ethylsulfonyl-N-[(1-phenylcyclopentyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-ethylsulfonyl-N-[(1-phenylcyclopentyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-esyl-N-[(1-phenylcyclopentyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C24H30N2O3S MolecularWeight: 426.5716

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NCC3(CCCC3)C4=CC=CC=C4

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NCC3(CCCC3)C4=CC=CC=C4

InChI

InChI=1S/C24H30N2O3S/c1-2-30(28,29)26-17-20-11-7-6-10-19(20)16-22(26)23(27)25-18-24(14-8-9-15-24)21-12-4-3-5-13-21/h3-7,10-13,22H,2,8-9,14-18H2,1H3,(H,25,27)