N-(1,3-benzodioxol-5-ylmethyl)-N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)ethanediamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)ethanediamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)oxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)oxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)oxamide Traditional Name: N'-(1-mesyl-3,4-dihydro-2H-quinolin-6-yl)-N-piperonyl-oxamide Formula: C20H21N3O6S MolecularWeight: 431.46224

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCC2=C1C=CC(=C2)NC(=O)C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CS(=O)(=O)N1CCCC2=C1C=CC(=C2)NC(=O)C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H21N3O6S/c1-30(26,27)23-8-2-3-14-10-15(5-6-16(14)23)22-20(25)19(24)21-11-13-4-7-17-18(9-13)29-12-28-17/h4-7,9-10H,2-3,8,11-12H2,1H3,(H,21,24)(H,22,25)