methyl 3-(3-cyanophenyl)-5-[4-(methylsulfonylamino)phenyl]pentanoate

Systemtic Name: methyl 3-(3-cyanophenyl)-5-[4-(methylsulfonylamino)phenyl]pentanoate Openeye Name: methyl 3-(3-cyanophenyl)-5-[4-(methanesulfonamido)phenyl]pentanoate CAS Name: 3-(3-cyanophenyl)-5-[4-(methanesulfonamido)phenyl]pentanoic acid methyl ester IUPAC Name: methyl 3-(3-cyanophenyl)-5-[4-(methanesulfonamido)phenyl]pentanoate Traditional Name: 3-(3-cyanophenyl)-5-[4-(methanesulfonamido)phenyl]valeric acid methyl ester Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(CCC1=CC=C(C=C1)NS(=O)(=O)C)C2=CC=CC(=C2)C#N

Isomeric SMILES

COC(=O)CC(CCC1=CC=C(C=C1)NS(=O)(=O)C)C2=CC=CC(=C2)C#N

InChI

InChI=1S/C20H22N2O4S/c1-26-20(23)13-18(17-5-3-4-16(12-17)14-21)9-6-15-7-10-19(11-8-15)22-27(2,24)25/h3-5,7-8,10-12,18,22H,6,9,13H2,1-2H3