4-[[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]butane-1-sulfonic acid

Systemtic Name: 4-[[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]butane-1-sulfonic acid Openeye Name: 4-[[2-(2-ethylanilino)-2-oxo-ethyl]-methyl-amino]butane-1-sulfonic acid CAS Name: 4-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-1-butanesulfonic acid IUPAC Name: 4-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]butane-1-sulfonic acid Traditional Name: 4-[[2-(2-ethylanilino)-2-keto-ethyl]-methyl-amino]butane-1-sulfonic acid Formula: C15H24N2O4S MolecularWeight: 328.42706

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)CN(C)CCCCS(=O)(=O)O

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)CN(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)