3-[(4-methylphenyl)sulfonyl-phenyl-amino]propylazanium

Systemtic Name: 3-[(4-methylphenyl)sulfonyl-phenyl-amino]propylazanium Openeye Name: 3-[N-(p-tolylsulfonyl)anilino]propylammonium CAS Name: 3-(N-(4-methylphenyl)sulfonylanilino)propylammonium IUPAC Name: 3-(N-(4-methylphenyl)sulfonylanilino)propylazanium Traditional Name: 3-(N-tosylanilino)propylammonium Formula: C16H21N2O2S+ MolecularWeight: 305.41514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CCC[NH3+])C2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CCC[NH3+])C2=CC=CC=C2

InChI

InChI=1S/C16H20N2O2S/c1-14-8-10-16(11-9-14)21(19,20)18(13-5-12-17)15-6-3-2-4-7-15/h2-4,6-11H,5,12-13,17H2,1H3/p+1