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

Systemtic Name: 2-[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]ethanoylamino]-N-(3-methoxypropyl)benzamide Openeye Name: 2-[[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]acetyl]amino]-N-(3-methoxypropyl)benzamide CAS Name: 2-[[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-1-oxoethyl]amino]-N-(3-methoxypropyl)benzamide IUPAC Name: 2-[[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]acetyl]amino]-N-(3-methoxypropyl)benzamide Traditional Name: 2-[[2-[1,3-benzodioxol-5-yl(mesyl)amino]acetyl]amino]-N-(3-methoxypropyl)benzamide Formula: C21H25N3O7S MolecularWeight: 463.5041

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O7S/c1-29-11-5-10-22-21(26)16-6-3-4-7-17(16)23-20(25)13-24(32(2,27)28)15-8-9-18-19(12-15)31-14-30-18/h3-4,6-9,12H,5,10-11,13-14H2,1-2H3,(H,22,26)(H,23,25)