(3S)-2-(3,4-diethoxyphenyl)sulfonyl-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-2-(3,4-diethoxyphenyl)sulfonyl-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-2-(3,4-diethoxyphenyl)sulfonyl-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-2-(3,4-diethoxyphenyl)sulfonyl-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-2-(3,4-diethoxyphenyl)sulfonyl-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-2-(3,4-diethoxyphenyl)sulfonyl-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C21H26N2O5S MolecularWeight: 418.50654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NC)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3C[C@H]2C(=O)NC)OCC

InChI

InChI=1S/C21H26N2O5S/c1-4-27-19-11-10-17(13-20(19)28-5-2)29(25,26)23-14-16-9-7-6-8-15(16)12-18(23)21(24)22-3/h6-11,13,18H,4-5,12,14H2,1-3H3,(H,22,24)/t18-/m0/s1