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

Systemtic Name: 2-ethylsulfonyl-N-[(1-phenylcyclopropyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-ethylsulfonyl-N-[(1-phenylcyclopropyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-ethylsulfonyl-N-[(1-phenylcyclopropyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-ethylsulfonyl-N-[(1-phenylcyclopropyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-esyl-N-[(1-phenylcyclopropyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NCC3(CC3)C4=CC=CC=C4

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NCC3(CC3)C4=CC=CC=C4

InChI

InChI=1S/C22H26N2O3S/c1-2-28(26,27)24-15-18-9-7-6-8-17(18)14-20(24)21(25)23-16-22(12-13-22)19-10-4-3-5-11-19/h3-11,20H,2,12-16H2,1H3,(H,23,25)