[2-(4-methoxyphenyl)sulfonyl-1-oxidanyl-1-oxidanylidene-butan-2-yl]-(phenylmethyl)-di(propan-2-yl)azanium

Systemtic Name: [2-(4-methoxyphenyl)sulfonyl-1-oxidanyl-1-oxidanylidene-butan-2-yl]-(phenylmethyl)-di(propan-2-yl)azanium Openeye Name: benzyl-[1-carboxy-1-(4-methoxyphenyl)sulfonyl-propyl]-diisopropyl-ammonium CAS Name: [1-hydroxy-2-(4-methoxyphenyl)sulfonyl-1-oxobutan-2-yl]-(phenylmethyl)-di(propan-2-yl)ammonium IUPAC Name: benzyl-[1-hydroxy-2-(4-methoxyphenyl)sulfonyl-1-oxobutan-2-yl]-di(propan-2-yl)azanium Traditional Name: benzyl-[1-carboxy-1-(4-methoxyphenyl)sulfonyl-propyl]-diisopropyl-ammonium Formula: C24H34NO5S+ MolecularWeight: 448.59546

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)([N+](CC1=CC=CC=C1)(C(C)C)C(C)C)S(=O)(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CCC(C(=O)O)([N+](CC1=CC=CC=C1)(C(C)C)C(C)C)S(=O)(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C24H33NO5S/c1-7-24(23(26)27,31(28,29)22-15-13-21(30-6)14-16-22)25(18(2)3,19(4)5)17-20-11-9-8-10-12-20/h8-16,18-19H,7,17H2,1-6H3/p+1