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

Systemtic Name: 2-[2-[1,3-benzodioxol-5-yl(ethylsulfonyl)amino]ethanoylamino]-N-butyl-benzamide Openeye Name: 2-[[2-[1,3-benzodioxol-5-yl(ethylsulfonyl)amino]acetyl]amino]-N-butyl-benzamide CAS Name: 2-[[2-[1,3-benzodioxol-5-yl(ethylsulfonyl)amino]-1-oxoethyl]amino]-N-butylbenzamide IUPAC Name: 2-[[2-[1,3-benzodioxol-5-yl(ethylsulfonyl)amino]acetyl]amino]-N-butylbenzamide Traditional Name: 2-[[2-[1,3-benzodioxol-5-yl(esyl)amino]acetyl]amino]-N-butyl-benzamide Formula: C22H27N3O6S MolecularWeight: 461.53128

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC=CC=C1NC(=O)CN(C2=CC3=C(C=C2)OCO3)S(=O)(=O)CC

Isomeric SMILES

CCCCNC(=O)C1=CC=CC=C1NC(=O)CN(C2=CC3=C(C=C2)OCO3)S(=O)(=O)CC

InChI

InChI=1S/C22H27N3O6S/c1-3-5-12-23-22(27)17-8-6-7-9-18(17)24-21(26)14-25(32(28,29)4-2)16-10-11-19-20(13-16)31-15-30-19/h6-11,13H,3-5,12,14-15H2,1-2H3,(H,23,27)(H,24,26)