methyl 4-[[2-[furan-2-ylmethyl-(3-methylphenyl)sulfonyl-amino]ethanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-[furan-2-ylmethyl-(3-methylphenyl)sulfonyl-amino]ethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-[2-furylmethyl(m-tolylsulfonyl)amino]acetyl]amino]methyl]benzoate CAS Name: 4-[[[2-[2-furanylmethyl-(3-methylphenyl)sulfonylamino]-1-oxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-[furan-2-ylmethyl-(3-methylphenyl)sulfonylamino]acetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[2-furfuryl(m-tolylsulfonyl)amino]acetyl]amino]methyl]benzoic acid methyl ester Formula: C23H24N2O6S MolecularWeight: 456.51146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)S(=O)(=O)N(CC2=CC=CO2)CC(=O)NCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)N(CC2=CC=CO2)CC(=O)NCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C23H24N2O6S/c1-17-5-3-7-21(13-17)32(28,29)25(15-20-6-4-12-31-20)16-22(26)24-14-18-8-10-19(11-9-18)23(27)30-2/h3-13H,14-16H2,1-2H3,(H,24,26)