methyl 4-[4-[[(4-methylphenyl)sulfonylamino]-pyridin-3-yl-methyl]phenyl]butanoate

Systemtic Name: methyl 4-[4-[[(4-methylphenyl)sulfonylamino]-pyridin-3-yl-methyl]phenyl]butanoate Openeye Name: methyl 4-[4-[(p-tolylsulfonylamino)-(3-pyridyl)methyl]phenyl]butanoate CAS Name: 4-[4-[[(4-methylphenyl)sulfonylamino]-(3-pyridinyl)methyl]phenyl]butanoic acid methyl ester IUPAC Name: methyl 4-[4-[[(4-methylphenyl)sulfonylamino]-pyridin-3-ylmethyl]phenyl]butanoate Traditional Name: 4-[4-[3-pyridyl-(tosylamino)methyl]phenyl]butyric acid methyl ester Formula: C24H26N2O4S MolecularWeight: 438.53924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26N2O4S/c1-18-8-14-22(15-9-18)31(28,29)26-24(21-6-4-16-25-17-21)20-12-10-19(11-13-20)5-3-7-23(27)30-2/h4,6,8-17,24,26H,3,5,7H2,1-2H3