butyl-[[4-(2-cyanophenyl)phenyl]methyl]-(3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)-methylsulfonyl-azanium

Systemtic Name: butyl-[[4-(2-cyanophenyl)phenyl]methyl]-(3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)-methylsulfonyl-azanium Openeye Name: butyl-(1-carboxy-2-methyl-propyl)-[[4-(2-cyanophenyl)phenyl]methyl]-methylsulfonyl-ammonium CAS Name: butyl-[[4-(2-cyanophenyl)phenyl]methyl]-(1-hydroxy-3-methyl-1-oxobutan-2-yl)-methylsulfonylammonium IUPAC Name: butyl-[[4-(2-cyanophenyl)phenyl]methyl]-(1-hydroxy-3-methyl-1-oxobutan-2-yl)-methylsulfonylazanium Traditional Name: butyl-(1-carboxy-2-methyl-propyl)-[4-(2-cyanophenyl)benzyl]-mesyl-ammonium Formula: C24H31N2O4S+ MolecularWeight: 443.57894

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+](CC1=CC=C(C=C1)C2=CC=CC=C2C#N)(C(C(C)C)C(=O)O)S(=O)(=O)C

Isomeric SMILES

CCCC[N+](CC1=CC=C(C=C1)C2=CC=CC=C2C#N)(C(C(C)C)C(=O)O)S(=O)(=O)C

InChI

InChI=1S/C24H30N2O4S/c1-5-6-15-26(31(4,29)30,23(18(2)3)24(27)28)17-19-11-13-20(14-12-19)22-10-8-7-9-21(22)16-25/h7-14,18,23H,5-6,15,17H2,1-4H3/p+1