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

Systemtic Name: [3-[(4-methylphenyl)sulfonyl-(3-nitrophenyl)amino]-2-oxidanyl-propyl]-bis(phenylmethyl)azanium chloride Openeye Name: dibenzyl-[2-hydroxy-3-[3-nitro-N-(p-tolylsulfonyl)anilino]propyl]ammonium chloride CAS Name: [2-hydroxy-3-(N-(4-methylphenyl)sulfonyl-3-nitroanilino)propyl]-bis(phenylmethyl)ammonium chloride IUPAC Name: dibenzyl-[2-hydroxy-3-(N-(4-methylphenyl)sulfonyl-3-nitroanilino)propyl]azanium chloride Traditional Name: dibenzyl-[2-hydroxy-3-(3-nitro-N-tosyl-anilino)propyl]ammonium chloride Formula: C30H32ClN3O5S MolecularWeight: 582.11018

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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)[N+](=O)[O-].[Cl-]

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)[N+](=O)[O-].[Cl-]

InChI

InChI=1S/C30H31N3O5S.ClH/c1-24-15-17-30(18-16-24)39(37,38)32(27-13-8-14-28(19-27)33(35)36)23-29(34)22-31(20-25-9-4-2-5-10-25)21-26-11-6-3-7-12-26;/h2-19,29,34H,20-23H2,1H3;1H