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

Systemtic Name: [3-[(3-methylphenyl)-(4-methylphenyl)sulfonyl-amino]-2-oxidanyl-propyl]-bis(phenylmethyl)azanium Openeye Name: dibenzyl-[2-hydroxy-3-[3-methyl-N-(p-tolylsulfonyl)anilino]propyl]ammonium CAS Name: [2-hydroxy-3-(3-methyl-N-(4-methylphenyl)sulfonylanilino)propyl]-bis(phenylmethyl)ammonium IUPAC Name: dibenzyl-[2-hydroxy-3-(3-methyl-N-(4-methylphenyl)sulfonylanilino)propyl]azanium Traditional Name: dibenzyl-[2-hydroxy-3-(3-methyl-N-tosyl-anilino)propyl]ammonium Formula: C31H35N2O3S+ MolecularWeight: 515.6862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(C[NH+](CC2=CC=CC=C2)CC3=CC=CC=C3)O)C4=CC=CC(=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(C[NH+](CC2=CC=CC=C2)CC3=CC=CC=C3)O)C4=CC=CC(=C4)C

InChI

InChI=1S/C31H34N2O3S/c1-25-16-18-31(19-17-25)37(35,36)33(29-15-9-10-26(2)20-29)24-30(34)23-32(21-27-11-5-3-6-12-27)22-28-13-7-4-8-14-28/h3-20,30,34H,21-24H2,1-2H3/p+1