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

Systemtic Name: methyl 4-[4-[phenylsulfonylamino(pyridin-3-yl)methyl]phenyl]butanoate Openeye Name: methyl 4-[4-[benzenesulfonamido(3-pyridyl)methyl]phenyl]butanoate CAS Name: 4-[4-[benzenesulfonamido(3-pyridinyl)methyl]phenyl]butanoic acid methyl ester IUPAC Name: methyl 4-[4-[benzenesulfonamido(pyridin-3-yl)methyl]phenyl]butanoate Traditional Name: 4-[4-[benzenesulfonamido(3-pyridyl)methyl]phenyl]butyric acid methyl ester Formula: C23H24N2O4S MolecularWeight: 424.51266

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC1=CC=C(C=C1)C(C2=CN=CC=C2)NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)CCCC1=CC=C(C=C1)C(C2=CN=CC=C2)NS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H24N2O4S/c1-29-22(26)11-5-7-18-12-14-19(15-13-18)23(20-8-6-16-24-17-20)25-30(27,28)21-9-3-2-4-10-21/h2-4,6,8-10,12-17,23,25H,5,7,11H2,1H3