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

Systemtic Name: 2-ethylsulfonyl-N-[2-(4-methoxyphenoxy)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-ethylsulfonyl-N-[2-(4-methoxyphenoxy)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-ethylsulfonyl-N-[2-(4-methoxyphenoxy)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-ethylsulfonyl-N-[2-(4-methoxyphenoxy)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-esyl-N-[2-(4-methoxyphenoxy)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O5S/c1-3-29(25,26)23-15-17-7-5-4-6-16(17)14-20(23)21(24)22-12-13-28-19-10-8-18(27-2)9-11-19/h4-11,20H,3,12-15H2,1-2H3,(H,22,24)