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

Systemtic Name: 2-ethylsulfonyl-N-[2-(phenylmethyl)phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-(2-benzylphenyl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-ethylsulfonyl-N-[2-(phenylmethyl)phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-(2-benzylphenyl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-(2-benzylphenyl)-2-esyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C25H26N2O3S MolecularWeight: 434.55054

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=CC=CC=C3CC4=CC=CC=C4

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=CC=CC=C3CC4=CC=CC=C4

InChI

InChI=1S/C25H26N2O3S/c1-2-31(29,30)27-18-22-14-7-6-12-20(22)17-24(27)25(28)26-23-15-9-8-13-21(23)16-19-10-4-3-5-11-19/h3-15,24H,2,16-18H2,1H3,(H,26,28)