[3-[(4-methoxyphenyl)-(4-methylphenyl)sulfonyl-amino]-2-oxidanyl-propyl]-bis(2-methylpropyl)azanium

Systemtic Name: [3-[(4-methoxyphenyl)-(4-methylphenyl)sulfonyl-amino]-2-oxidanyl-propyl]-bis(2-methylpropyl)azanium Openeye Name: [2-hydroxy-3-[4-methoxy-N-(p-tolylsulfonyl)anilino]propyl]-diisobutyl-ammonium CAS Name: [2-hydroxy-3-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)propyl]-bis(2-methylpropyl)ammonium IUPAC Name: [2-hydroxy-3-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)propyl]-bis(2-methylpropyl)azanium Traditional Name: [2-hydroxy-3-(4-methoxy-N-tosyl-anilino)propyl]-diisobutyl-ammonium Formula: C25H39N2O4S+ MolecularWeight: 463.65316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H38N2O4S/c1-19(2)15-26(16-20(3)4)17-23(28)18-27(22-9-11-24(31-6)12-10-22)32(29,30)25-13-7-21(5)8-14-25/h7-14,19-20,23,28H,15-18H2,1-6H3/p+1