4-[2-[1,3-benzodioxol-5-yl(ethylsulfonyl)amino]ethanoylamino]benzamide

Systemtic Name: 4-[2-[1,3-benzodioxol-5-yl(ethylsulfonyl)amino]ethanoylamino]benzamide Openeye Name: 4-[[2-[1,3-benzodioxol-5-yl(ethylsulfonyl)amino]acetyl]amino]benzamide CAS Name: 4-[[2-[1,3-benzodioxol-5-yl(ethylsulfonyl)amino]-1-oxoethyl]amino]benzamide IUPAC Name: 4-[[2-[1,3-benzodioxol-5-yl(ethylsulfonyl)amino]acetyl]amino]benzamide Traditional Name: 4-[[2-[1,3-benzodioxol-5-yl(esyl)amino]acetyl]amino]benzamide Formula: C18H19N3O6S MolecularWeight: 405.42496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N(CC(=O)NC1=CC=C(C=C1)C(=O)N)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCS(=O)(=O)N(CC(=O)NC1=CC=C(C=C1)C(=O)N)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H19N3O6S/c1-2-28(24,25)21(14-7-8-15-16(9-14)27-11-26-15)10-17(22)20-13-5-3-12(4-6-13)18(19)23/h3-9H,2,10-11H2,1H3,(H2,19,23)(H,20,22)