butyl 4-[2-[4-[(4-methylphenyl)methyl-methylsulfonyl-amino]phenoxy]ethanoylamino]benzoate

Systemtic Name: butyl 4-[2-[4-[(4-methylphenyl)methyl-methylsulfonyl-amino]phenoxy]ethanoylamino]benzoate Openeye Name: butyl 4-[[2-[4-[methylsulfonyl(p-tolylmethyl)amino]phenoxy]acetyl]amino]benzoate CAS Name: 4-[[2-[4-[(4-methylphenyl)methyl-methylsulfonylamino]phenoxy]-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[4-[(4-methylphenyl)methyl-methylsulfonylamino]phenoxy]acetyl]amino]benzoate Traditional Name: 4-[[2-[4-[mesyl-(4-methylbenzyl)amino]phenoxy]acetyl]amino]benzoic acid butyl ester Formula: C28H32N2O6S MolecularWeight: 524.62848

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)COC2=CC=C(C=C2)N(CC3=CC=C(C=C3)C)S(=O)(=O)C

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)COC2=CC=C(C=C2)N(CC3=CC=C(C=C3)C)S(=O)(=O)C

InChI

InChI=1S/C28H32N2O6S/c1-4-5-18-35-28(32)23-10-12-24(13-11-23)29-27(31)20-36-26-16-14-25(15-17-26)30(37(3,33)34)19-22-8-6-21(2)7-9-22/h6-17H,4-5,18-20H2,1-3H3,(H,29,31)