methyl 2-[[(4-methylphenyl)sulfonyl-(phenylmethyl)amino]methyl]-3-(4-nitrophenyl)propanoate

Systemtic Name: methyl 2-[[(4-methylphenyl)sulfonyl-(phenylmethyl)amino]methyl]-3-(4-nitrophenyl)propanoate Openeye Name: methyl 2-[[benzyl(p-tolylsulfonyl)amino]methyl]-3-(4-nitrophenyl)propanoate CAS Name: 2-[[(4-methylphenyl)sulfonyl-(phenylmethyl)amino]methyl]-3-(4-nitrophenyl)propanoic acid methyl ester IUPAC Name: methyl 2-[[benzyl-(4-methylphenyl)sulfonylamino]methyl]-3-(4-nitrophenyl)propanoate Traditional Name: 2-[[benzyl(tosyl)amino]methyl]-3-(4-nitrophenyl)propionic acid methyl ester Formula: C25H26N2O6S MolecularWeight: 482.54874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)CC(CC3=CC=C(C=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)CC(CC3=CC=C(C=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C25H26N2O6S/c1-19-8-14-24(15-9-19)34(31,32)26(17-21-6-4-3-5-7-21)18-22(25(28)33-2)16-20-10-12-23(13-11-20)27(29)30/h3-15,22H,16-18H2,1-2H3