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

Systemtic Name: 2-[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]ethanoylamino]-N-tert-butyl-benzamide Openeye Name: 2-[[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]acetyl]amino]-N-tert-butyl-benzamide CAS Name: 2-[[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-1-oxoethyl]amino]-N-tert-butylbenzamide IUPAC Name: 2-[[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]acetyl]amino]-N-tert-butylbenzamide Traditional Name: 2-[[2-[1,3-benzodioxol-5-yl(mesyl)amino]acetyl]amino]-N-tert-butyl-benzamide Formula: C21H25N3O6S MolecularWeight: 447.5047

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O6S/c1-21(2,3)23-20(26)15-7-5-6-8-16(15)22-19(25)12-24(31(4,27)28)14-9-10-17-18(11-14)30-13-29-17/h5-11H,12-13H2,1-4H3,(H,22,25)(H,23,26)