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

Systemtic Name: methyl 4-[4-[[(4-methylphenyl)sulfonylamino]-phenyl-methyl]phenyl]butanoate Openeye Name: methyl 4-[4-[phenyl-(p-tolylsulfonylamino)methyl]phenyl]butanoate CAS Name: 4-[4-[[(4-methylphenyl)sulfonylamino]-phenylmethyl]phenyl]butanoic acid methyl ester IUPAC Name: methyl 4-[4-[[(4-methylphenyl)sulfonylamino]-phenylmethyl]phenyl]butanoate Traditional Name: 4-[4-[phenyl-(tosylamino)methyl]phenyl]butyric acid methyl ester Formula: C25H27NO4S MolecularWeight: 437.55118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C2=CC=CC=C2)C3=CC=C(C=C3)CCCC(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(C2=CC=CC=C2)C3=CC=C(C=C3)CCCC(=O)OC

InChI

InChI=1S/C25H27NO4S/c1-19-11-17-23(18-12-19)31(28,29)26-25(21-8-4-3-5-9-21)22-15-13-20(14-16-22)7-6-10-24(27)30-2/h3-5,8-9,11-18,25-26H,6-7,10H2,1-2H3