4-[[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]-methyl-azaniumyl]butane-1-sulfonate

Systemtic Name: 4-[[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]-methyl-azaniumyl]butane-1-sulfonate Openeye Name: 4-[[2-(2-ethylanilino)-2-oxo-ethyl]-methyl-ammonio]butane-1-sulfonate CAS Name: 4-[[2-(2-ethylanilino)-2-oxoethyl]-methylammonio]-1-butanesulfonate IUPAC Name: 4-[[2-(2-ethylanilino)-2-oxoethyl]-methylazaniumyl]butane-1-sulfonate Traditional Name: 4-[[2-(2-ethylanilino)-2-keto-ethyl]-methyl-ammonio]butane-1-sulfonate Formula: C15H24N2O4S MolecularWeight: 328.42706

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C[NH+](C)CCCCS(=O)(=O)[O-]

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C[NH+](C)CCCCS(=O)(=O)[O-]

InChI

InChI=1S/C15H24N2O4S/c1-3-13-8-4-5-9-14(13)16-15(18)12-17(2)10-6-7-11-22(19,20)21/h4-5,8-9H,3,6-7,10-12H2,1-2H3,(H,16,18)(H,19,20,21)