2-[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]ethanoylamino]-N-prop-2-enyl-benzamide

Systemtic Name: 2-[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]ethanoylamino]-N-prop-2-enyl-benzamide Openeye Name: N-allyl-2-[[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]acetyl]amino]benzamide CAS Name: 2-[[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-1-oxoethyl]amino]-N-prop-2-enylbenzamide IUPAC Name: 2-[[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]acetyl]amino]-N-prop-2-enylbenzamide Traditional Name: N-allyl-2-[[2-[1,3-benzodioxol-5-yl(mesyl)amino]acetyl]amino]benzamide Formula: C20H21N3O6S MolecularWeight: 431.46224

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC(=O)NC1=CC=CC=C1C(=O)NCC=C)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CS(=O)(=O)N(CC(=O)NC1=CC=CC=C1C(=O)NCC=C)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C20H21N3O6S/c1-3-10-21-20(25)15-6-4-5-7-16(15)22-19(24)12-23(30(2,26)27)14-8-9-17-18(11-14)29-13-28-17/h3-9,11H,1,10,12-13H2,2H3,(H,21,25)(H,22,24)