ethylamino-[(5-methylsulfonyl-2-phenylmethoxy-phenyl)methyl]-(phenylcarbonyl)-(phenylsulfonyl)azanium

Systemtic Name: ethylamino-[(5-methylsulfonyl-2-phenylmethoxy-phenyl)methyl]-(phenylcarbonyl)-(phenylsulfonyl)azanium Openeye Name: benzenesulfonyl-benzoyl-[(2-benzyloxy-5-methylsulfonyl-phenyl)methyl]-(ethylamino)ammonium CAS Name: benzenesulfonyl-benzoyl-(ethylamino)-[(5-methylsulfonyl-2-phenylmethoxyphenyl)methyl]ammonium IUPAC Name: benzenesulfonyl-benzoyl-(ethylamino)-[(5-methylsulfonyl-2-phenylmethoxyphenyl)methyl]azanium Traditional Name: (2-benzoxy-5-mesyl-benzyl)-benzoyl-besyl-(ethylamino)ammonium Formula: C30H31N2O6S2+ MolecularWeight: 579.70694

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Descriptors Computed from Structure

Canonical SMILES:

CCN[N+](CC1=C(C=CC(=C1)S(=O)(=O)C)OCC2=CC=CC=C2)(C(=O)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CCN[N+](CC1=C(C=CC(=C1)S(=O)(=O)C)OCC2=CC=CC=C2)(C(=O)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C30H31N2O6S2/c1-3-31-32(30(33)25-15-9-5-10-16-25,40(36,37)27-17-11-6-12-18-27)22-26-21-28(39(2,34)35)19-20-29(26)38-23-24-13-7-4-8-14-24/h4-21,31H,3,22-23H2,1-2H3/q+1