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

Systemtic Name: [3-[(4-nitrophenyl)sulfonyl-phenyl-amino]-2-oxidanyl-propyl]-bis(phenylmethyl)azanium Openeye Name: dibenzyl-[2-hydroxy-3-(N-(4-nitrophenyl)sulfonylanilino)propyl]ammonium CAS Name: [2-hydroxy-3-(N-(4-nitrophenyl)sulfonylanilino)propyl]-bis(phenylmethyl)ammonium IUPAC Name: dibenzyl-[2-hydroxy-3-(N-(4-nitrophenyl)sulfonylanilino)propyl]azanium Traditional Name: dibenzyl-[2-hydroxy-3-(N-nosylanilino)propyl]ammonium Formula: C29H30N3O5S+ MolecularWeight: 532.6306

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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=C(C=C4)[N+](=O)[O-])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=C(C=C4)[N+](=O)[O-])O

InChI

InChI=1S/C29H29N3O5S/c33-28(22-30(20-24-10-4-1-5-11-24)21-25-12-6-2-7-13-25)23-31(26-14-8-3-9-15-26)38(36,37)29-18-16-27(17-19-29)32(34)35/h1-19,28,33H,20-23H2/p+1