N-(1,3-benzodioxol-5-ylmethyl)-2-[2-[(2-methylphenyl)-methylsulfonyl-amino]ethanoylamino]benzamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[2-[(2-methylphenyl)-methylsulfonyl-amino]ethanoylamino]benzamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(2-methyl-N-methylsulfonyl-anilino)acetyl]amino]benzamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(2-methyl-N-methylsulfonylanilino)-1-oxoethyl]amino]benzamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(2-methyl-N-methylsulfonylanilino)acetyl]amino]benzamide Traditional Name: 2-[[2-(N-mesyl-2-methyl-anilino)acetyl]amino]-N-piperonyl-benzamide Formula: C25H25N3O6S MolecularWeight: 495.5475

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N(CC(=O)NC2=CC=CC=C2C(=O)NCC3=CC4=C(C=C3)OCO4)S(=O)(=O)C

Isomeric SMILES

CC1=CC=CC=C1N(CC(=O)NC2=CC=CC=C2C(=O)NCC3=CC4=C(C=C3)OCO4)S(=O)(=O)C

InChI

InChI=1S/C25H25N3O6S/c1-17-7-3-6-10-21(17)28(35(2,31)32)15-24(29)27-20-9-5-4-8-19(20)25(30)26-14-18-11-12-22-23(13-18)34-16-33-22/h3-13H,14-16H2,1-2H3,(H,26,30)(H,27,29)