methyl 4-[2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(3-methylbutyl)amino]ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(3-methylbutyl)amino]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(isopentyl)amino]acetyl]amino]benzoate CAS Name: 4-[[2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(3-methylbutyl)amino]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(3-methylbutyl)amino]acetyl]amino]benzoate Traditional Name: 4-[[2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(isoamyl)amino]acetyl]amino]benzoic acid methyl ester Formula: C23H28N2O7S MolecularWeight: 476.54262

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(CC(=O)NC1=CC=C(C=C1)C(=O)OC)S(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC(C)CCN(CC(=O)NC1=CC=C(C=C1)C(=O)OC)S(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C23H28N2O7S/c1-16(2)10-11-25(15-22(26)24-18-6-4-17(5-7-18)23(27)30-3)33(28,29)19-8-9-20-21(14-19)32-13-12-31-20/h4-9,14,16H,10-13,15H2,1-3H3,(H,24,26)