methyl 4-[4-(4-cyanophenyl)phenyl]butanoate; (sulfonylamino)methane

Systemtic Name: methyl 4-[4-(4-cyanophenyl)phenyl]butanoate; (sulfonylamino)methane Openeye Name: methyl 4-[4-(4-cyanophenyl)phenyl]butanoate; (sulfonylamino)methane CAS Name: 4-[4-(4-cyanophenyl)phenyl]butanoic acid methyl ester; (sulfonylamino)methane IUPAC Name: methyl 4-[4-(4-cyanophenyl)phenyl]butanoate; (sulfonylamino)methane Traditional Name: 4-[4-(4-cyanophenyl)phenyl]butyric acid methyl ester; (sulfonylamino)methane Formula: C19H20N2O4S MolecularWeight: 372.4381

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Descriptors Computed from Structure

Canonical SMILES:

CN=S(=O)=O.COC(=O)CCCC1=CC=C(C=C1)C2=CC=C(C=C2)C#N

Isomeric SMILES

CN=S(=O)=O.COC(=O)CCCC1=CC=C(C=C1)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C18H17NO2.CH3NO2S/c1-21-18(20)4-2-3-14-5-9-16(10-6-14)17-11-7-15(13-19)8-12-17;1-2-5(3)4/h5-12H,2-4H2,1H3;1H3