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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(2,5-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(2,5-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(2,5-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(2,5-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-(2,5-dimethoxyphenyl)sulfonyl-N-piperonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C26H26N2O7S MolecularWeight: 510.55884

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H26N2O7S/c1-32-20-8-10-23(33-2)25(13-20)36(30,31)28-15-19-6-4-3-5-18(19)12-21(28)26(29)27-14-17-7-9-22-24(11-17)35-16-34-22/h3-11,13,21H,12,14-16H2,1-2H3,(H,27,29)