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

Systemtic Name: butyl 4-[2-[4-[methylsulfonyl-(phenylmethyl)amino]phenoxy]ethanoylamino]benzoate Openeye Name: butyl 4-[[2-[4-[benzyl(methylsulfonyl)amino]phenoxy]acetyl]amino]benzoate CAS Name: 4-[[2-[4-[methylsulfonyl-(phenylmethyl)amino]phenoxy]-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[4-[benzyl(methylsulfonyl)amino]phenoxy]acetyl]amino]benzoate Traditional Name: 4-[[2-[4-[benzyl(mesyl)amino]phenoxy]acetyl]amino]benzoic acid butyl ester Formula: C27H30N2O6S MolecularWeight: 510.6019

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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=CC=C3)S(=O)(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C27H30N2O6S/c1-3-4-18-34-27(31)22-10-12-23(13-11-22)28-26(30)20-35-25-16-14-24(15-17-25)29(36(2,32)33)19-21-8-6-5-7-9-21/h5-17H,3-4,18-20H2,1-2H3,(H,28,30)