[3-[(4-methylphenyl)-naphthalen-2-ylsulfonyl-amino]-2-oxidanyl-propyl]-dipropyl-azanium chloride

Systemtic Name: [3-[(4-methylphenyl)-naphthalen-2-ylsulfonyl-amino]-2-oxidanyl-propyl]-dipropyl-azanium chloride Openeye Name: [2-hydroxy-3-[4-methyl-N-(2-naphthylsulfonyl)anilino]propyl]-dipropyl-ammonium chloride CAS Name: [2-hydroxy-3-[4-methyl-N-(2-naphthalenylsulfonyl)anilino]propyl]-dipropylammonium chloride IUPAC Name: [2-hydroxy-3-(4-methyl-N-naphthalen-2-ylsulfonylanilino)propyl]-dipropylazanium chloride Traditional Name: [2-hydroxy-3-[4-methyl-N-(2-naphthylsulfonyl)anilino]propyl]-dipropyl-ammonium chloride Formula: C26H35ClN2O3S MolecularWeight: 491.0857

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CCC)CC(CN(C1=CC=C(C=C1)C)S(=O)(=O)C2=CC3=CC=CC=C3C=C2)O.[Cl-]

Isomeric SMILES

CCC[NH+](CCC)CC(CN(C1=CC=C(C=C1)C)S(=O)(=O)C2=CC3=CC=CC=C3C=C2)O.[Cl-]

InChI

InChI=1S/C26H34N2O3S.ClH/c1-4-16-27(17-5-2)19-25(29)20-28(24-13-10-21(3)11-14-24)32(30,31)26-15-12-22-8-6-7-9-23(22)18-26;/h6-15,18,25,29H,4-5,16-17,19-20H2,1-3H3;1H