2-(2,5-dimethoxyphenyl)sulfonyl-N-(phenylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: 2-(2,5-dimethoxyphenyl)sulfonyl-N-(phenylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-benzyl-2-(2,5-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-(2,5-dimethoxyphenyl)sulfonyl-N-(phenylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-benzyl-2-(2,5-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-benzyl-2-(2,5-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C25H26N2O5S MolecularWeight: 466.54934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NCC4=CC=CC=C4

Isomeric SMILES

COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C25H26N2O5S/c1-31-21-12-13-23(32-2)24(15-21)33(29,30)27-17-20-11-7-6-10-19(20)14-22(27)25(28)26-16-18-8-4-3-5-9-18/h3-13,15,22H,14,16-17H2,1-2H3,(H,26,28)