4-[(4-azanyl-3-methyl-phenyl)-ethyl-amino]butane-1-sulfonic acid

Systemtic Name: 4-[(4-azanyl-3-methyl-phenyl)-ethyl-amino]butane-1-sulfonic acid Openeye Name: 4-(4-amino-N-ethyl-3-methyl-anilino)butane-1-sulfonic acid CAS Name: 4-(4-amino-N-ethyl-3-methylanilino)-1-butanesulfonic acid IUPAC Name: 4-(4-amino-N-ethyl-3-methylanilino)butane-1-sulfonic acid Traditional Name: 4-(4-amino-N-ethyl-3-methyl-anilino)butane-1-sulfonic acid Formula: C13H22N2O3S MolecularWeight: 286.39038

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCCS(=O)(=O)O)C1=CC(=C(C=C1)N)C

Isomeric SMILES

CCN(CCCCS(=O)(=O)O)C1=CC(=C(C=C1)N)C

InChI

InChI=1S/C13H22N2O3S/c1-3-15(8-4-5-9-19(16,17)18)12-6-7-13(14)11(2)10-12/h6-7,10H,3-5,8-9,14H2,1-2H3,(H,16,17,18)