[2-oxidanyl-3-[phenyl(phenylsulfonyl)amino]propyl]-bis(phenylmethyl)azanium

Systemtic Name: [2-oxidanyl-3-[phenyl(phenylsulfonyl)amino]propyl]-bis(phenylmethyl)azanium Openeye Name: [3-[N-(benzenesulfonyl)anilino]-2-hydroxy-propyl]-dibenzyl-ammonium CAS Name: [3-[N-(benzenesulfonyl)anilino]-2-hydroxypropyl]-bis(phenylmethyl)ammonium IUPAC Name: [3-[N-(benzenesulfonyl)anilino]-2-hydroxypropyl]-dibenzylazanium Traditional Name: dibenzyl-[3-(N-besylanilino)-2-hydroxy-propyl]ammonium Formula: C29H31N2O3S+ MolecularWeight: 487.63304

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[NH+](CC2=CC=CC=C2)CC(CN(C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4)O

Isomeric SMILES

C1=CC=C(C=C1)C[NH+](CC2=CC=CC=C2)CC(CN(C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4)O

InChI

InChI=1S/C29H30N2O3S/c32-28(23-30(21-25-13-5-1-6-14-25)22-26-15-7-2-8-16-26)24-31(27-17-9-3-10-18-27)35(33,34)29-19-11-4-12-20-29/h1-20,28,32H,21-24H2/p+1