[3-[(4-methoxyphenyl)-(4-methylphenyl)sulfonyl-amino]-2-oxidanyl-propyl]-dipropyl-azanium chloride

Systemtic Name: [3-[(4-methoxyphenyl)-(4-methylphenyl)sulfonyl-amino]-2-oxidanyl-propyl]-dipropyl-azanium chloride Openeye Name: [2-hydroxy-3-[4-methoxy-N-(p-tolylsulfonyl)anilino]propyl]-dipropyl-ammonium chloride CAS Name: [2-hydroxy-3-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)propyl]-dipropylammonium chloride IUPAC Name: [2-hydroxy-3-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)propyl]-dipropylazanium chloride Traditional Name: [2-hydroxy-3-(4-methoxy-N-tosyl-anilino)propyl]-dipropyl-ammonium chloride Formula: C23H35ClN2O4S MolecularWeight: 471.053

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CCC)CC(CN(C1=CC=C(C=C1)OC)S(=O)(=O)C2=CC=C(C=C2)C)O.[Cl-]

Isomeric SMILES

CCC[NH+](CCC)CC(CN(C1=CC=C(C=C1)OC)S(=O)(=O)C2=CC=C(C=C2)C)O.[Cl-]

InChI

InChI=1S/C23H34N2O4S.ClH/c1-5-15-24(16-6-2)17-21(26)18-25(20-9-11-22(29-4)12-10-20)30(27,28)23-13-7-19(3)8-14-23;/h7-14,21,26H,5-6,15-18H2,1-4H3;1H