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

Systemtic Name: 2-ethylsulfonyl-N-[4-methoxy-3-(phenylmethyl)phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-(3-benzyl-4-methoxy-phenyl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-ethylsulfonyl-N-[4-methoxy-3-(phenylmethyl)phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-(3-benzyl-4-methoxyphenyl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-(3-benzyl-4-methoxy-phenyl)-2-esyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C26H28N2O4S MolecularWeight: 464.57652

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=CC(=C(C=C3)OC)CC4=CC=CC=C4

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=CC(=C(C=C3)OC)CC4=CC=CC=C4

InChI

InChI=1S/C26H28N2O4S/c1-3-33(30,31)28-18-21-12-8-7-11-20(21)17-24(28)26(29)27-23-13-14-25(32-2)22(16-23)15-19-9-5-4-6-10-19/h4-14,16,24H,3,15,17-18H2,1-2H3,(H,27,29)