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

Systemtic Name: N-[2-(3,4-diethoxyphenyl)ethyl]-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-[2-(3,4-diethoxyphenyl)ethyl]-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-[2-(3,4-diethoxyphenyl)ethyl]-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-[2-(3,4-diethoxyphenyl)ethyl]-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-[2-(3,4-diethoxyphenyl)ethyl]-2-esyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C24H32N2O5S MolecularWeight: 460.58628

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CCNC(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)CC)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CCNC(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)CC)OCC

InChI

InChI=1S/C24H32N2O5S/c1-4-30-22-12-11-18(15-23(22)31-5-2)13-14-25-24(27)21-16-19-9-7-8-10-20(19)17-26(21)32(28,29)6-3/h7-12,15,21H,4-6,13-14,16-17H2,1-3H3,(H,25,27)