3-[(4-methylphenyl)sulfonylamino]-4-(trimethylazaniumyl)butanoate

Systemtic Name: 3-[(4-methylphenyl)sulfonylamino]-4-(trimethylazaniumyl)butanoate Openeye Name: 3-(p-tolylsulfonylamino)-4-(trimethylammonio)butanoate CAS Name: 3-[(4-methylphenyl)sulfonylamino]-4-(trimethylammonio)butanoate IUPAC Name: 3-[(4-methylphenyl)sulfonylamino]-4-(trimethylazaniumyl)butanoate Traditional Name: 3-(tosylamino)-4-(trimethylammonio)butyrate Formula: C14H22N2O4S MolecularWeight: 314.40048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CC(=O)[O-])C[N+](C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CC(=O)[O-])C[N+](C)(C)C

InChI

InChI=1S/C14H22N2O4S/c1-11-5-7-13(8-6-11)21(19,20)15-12(9-14(17)18)10-16(2,3)4/h5-8,12,15H,9-10H2,1-4H3