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

Systemtic Name: methyl 4-[4-[[(4-bromophenyl)sulfonylamino]-pyridin-3-yl-methyl]phenyl]butanoate Openeye Name: methyl 4-[4-[[(4-bromophenyl)sulfonylamino]-(3-pyridyl)methyl]phenyl]butanoate CAS Name: 4-[4-[[(4-bromophenyl)sulfonylamino]-(3-pyridinyl)methyl]phenyl]butanoic acid methyl ester IUPAC Name: methyl 4-[4-[[(4-bromophenyl)sulfonylamino]-pyridin-3-ylmethyl]phenyl]butanoate Traditional Name: 4-[4-[(brosylamino)-(3-pyridyl)methyl]phenyl]butyric acid methyl ester Formula: C23H23BrN2O4S MolecularWeight: 503.40872

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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=C(C=C3)Br

Isomeric SMILES

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

InChI

InChI=1S/C23H23BrN2O4S/c1-30-22(27)6-2-4-17-7-9-18(10-8-17)23(19-5-3-15-25-16-19)26-31(28,29)21-13-11-20(24)12-14-21/h3,5,7-16,23,26H,2,4,6H2,1H3