methyl 4-[[2-[butyl-(4-ethoxyphenyl)sulfonyl-amino]ethanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-[butyl-(4-ethoxyphenyl)sulfonyl-amino]ethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-[butyl-(4-ethoxyphenyl)sulfonyl-amino]acetyl]amino]methyl]benzoate CAS Name: 4-[[[2-[butyl-(4-ethoxyphenyl)sulfonylamino]-1-oxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-[butyl-(4-ethoxyphenyl)sulfonylamino]acetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[butyl(p-phenetylsulfonyl)amino]acetyl]amino]methyl]benzoic acid methyl ester Formula: C23H30N2O6S MolecularWeight: 462.5591

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC(=O)NCC1=CC=C(C=C1)C(=O)OC)S(=O)(=O)C2=CC=C(C=C2)OCC

Isomeric SMILES

CCCCN(CC(=O)NCC1=CC=C(C=C1)C(=O)OC)S(=O)(=O)C2=CC=C(C=C2)OCC

InChI

InChI=1S/C23H30N2O6S/c1-4-6-15-25(32(28,29)21-13-11-20(12-14-21)31-5-2)17-22(26)24-16-18-7-9-19(10-8-18)23(27)30-3/h7-14H,4-6,15-17H2,1-3H3,(H,24,26)