ethyl 2-[(4-methylphenyl)-[(4-methylphenyl)sulfonylamino]methyl]-4-phenyl-butanoate

Systemtic Name: ethyl 2-[(4-methylphenyl)-[(4-methylphenyl)sulfonylamino]methyl]-4-phenyl-butanoate Openeye Name: ethyl 4-phenyl-2-[p-tolyl-(p-tolylsulfonylamino)methyl]butanoate CAS Name: 2-[(4-methylphenyl)-[(4-methylphenyl)sulfonylamino]methyl]-4-phenylbutanoic acid ethyl ester IUPAC Name: ethyl 2-[(4-methylphenyl)-[(4-methylphenyl)sulfonylamino]methyl]-4-phenylbutanoate Traditional Name: 4-phenyl-2-[p-tolyl-(tosylamino)methyl]butyric acid ethyl ester Formula: C27H31NO4S MolecularWeight: 465.60434

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)C(C2=CC=C(C=C2)C)NS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C(CCC1=CC=CC=C1)C(C2=CC=C(C=C2)C)NS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C27H31NO4S/c1-4-32-27(29)25(19-14-22-8-6-5-7-9-22)26(23-15-10-20(2)11-16-23)28-33(30,31)24-17-12-21(3)13-18-24/h5-13,15-18,25-26,28H,4,14,19H2,1-3H3