N-(1,3-benzodioxol-5-ylmethyl)-2-[isoquinolin-5-ylsulfonyl-(4-methoxyphenyl)amino]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[isoquinolin-5-ylsulfonyl-(4-methoxyphenyl)amino]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[N-(5-isoquinolylsulfonyl)-4-methoxy-anilino]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[N-(5-isoquinolinylsulfonyl)-4-methoxyanilino]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(N-isoquinolin-5-ylsulfonyl-4-methoxyanilino)acetamide Traditional Name: 2-[N-(5-isoquinolylsulfonyl)-4-methoxy-anilino]-N-piperonyl-acetamide Formula: C26H23N3O6S MolecularWeight: 505.54232

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N(CC(=O)NCC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=CC5=C4C=CN=C5

Isomeric SMILES

COC1=CC=C(C=C1)N(CC(=O)NCC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=CC5=C4C=CN=C5

InChI

InChI=1S/C26H23N3O6S/c1-33-21-8-6-20(7-9-21)29(36(31,32)25-4-2-3-19-15-27-12-11-22(19)25)16-26(30)28-14-18-5-10-23-24(13-18)35-17-34-23/h2-13,15H,14,16-17H2,1H3,(H,28,30)