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

Systemtic Name: 2-ethylsulfonyl-N-[2-(3-methylphenoxy)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-ethylsulfonyl-N-[2-(3-methylphenoxy)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-ethylsulfonyl-N-[2-(3-methylphenoxy)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-ethylsulfonyl-N-[2-(3-methylphenoxy)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-esyl-N-[2-(3-methylphenoxy)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NCCOC3=CC=CC(=C3)C

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NCCOC3=CC=CC(=C3)C

InChI

InChI=1S/C21H26N2O4S/c1-3-28(25,26)23-15-18-9-5-4-8-17(18)14-20(23)21(24)22-11-12-27-19-10-6-7-16(2)13-19/h4-10,13,20H,3,11-12,14-15H2,1-2H3,(H,22,24)