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

Systemtic Name: [3-[(4-methoxyphenyl)-(4-methylphenyl)sulfonyl-amino]-2-oxidanyl-propyl]-bis(phenylmethyl)azanium Openeye Name: dibenzyl-[2-hydroxy-3-[4-methoxy-N-(p-tolylsulfonyl)anilino]propyl]ammonium CAS Name: [2-hydroxy-3-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)propyl]-bis(phenylmethyl)ammonium IUPAC Name: dibenzyl-[2-hydroxy-3-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)propyl]azanium Traditional Name: dibenzyl-[2-hydroxy-3-(4-methoxy-N-tosyl-anilino)propyl]ammonium Formula: C31H35N2O4S+ MolecularWeight: 531.6856

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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=C(C=C4)OC

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=C(C=C4)OC

InChI

InChI=1S/C31H34N2O4S/c1-25-13-19-31(20-14-25)38(35,36)33(28-15-17-30(37-2)18-16-28)24-29(34)23-32(21-26-9-5-3-6-10-26)22-27-11-7-4-8-12-27/h3-20,29,34H,21-24H2,1-2H3/p+1