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

Systemtic Name: butyl 4-[2-[1,3-benzodioxol-5-yl(ethylsulfonyl)amino]ethanoylamino]benzoate Openeye Name: butyl 4-[[2-[1,3-benzodioxol-5-yl(ethylsulfonyl)amino]acetyl]amino]benzoate CAS Name: 4-[[2-[1,3-benzodioxol-5-yl(ethylsulfonyl)amino]-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[1,3-benzodioxol-5-yl(ethylsulfonyl)amino]acetyl]amino]benzoate Traditional Name: 4-[[2-[1,3-benzodioxol-5-yl(esyl)amino]acetyl]amino]benzoic acid butyl ester Formula: C22H26N2O7S MolecularWeight: 462.51604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O7S/c1-3-5-12-29-22(26)16-6-8-17(9-7-16)23-21(25)14-24(32(27,28)4-2)18-10-11-19-20(13-18)31-15-30-19/h6-11,13H,3-5,12,14-15H2,1-2H3,(H,23,25)