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

Systemtic Name: N-[2-(4-chloranylphenoxy)ethyl]-2-ethylsulfonyl-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-[2-(4-chlorophenoxy)ethyl]-2-ethylsulfonyl-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-[2-(4-chlorophenoxy)ethyl]-2-ethylsulfonyl-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-[2-(4-chlorophenoxy)ethyl]-2-ethylsulfonyl-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-[2-(4-chlorophenoxy)ethyl]-2-esyl-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C21H25ClN2O4S MolecularWeight: 436.9522

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)N(C)CCOC3=CC=C(C=C3)Cl

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)N(C)CCOC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H25ClN2O4S/c1-3-29(26,27)24-15-17-7-5-4-6-16(17)14-20(24)21(25)23(2)12-13-28-19-10-8-18(22)9-11-19/h4-11,20H,3,12-15H2,1-2H3