2-[(4-azanyl-3-methyl-phenyl)amino]butane-1-sulfonic acid

Systemtic Name: 2-[(4-azanyl-3-methyl-phenyl)amino]butane-1-sulfonic acid Openeye Name: 2-(4-amino-3-methyl-anilino)butane-1-sulfonic acid CAS Name: 2-(4-amino-3-methylanilino)-1-butanesulfonic acid IUPAC Name: 2-(4-amino-3-methylanilino)butane-1-sulfonic acid Traditional Name: 2-(4-amino-3-methyl-anilino)butane-1-sulfonic acid Formula: C11H18N2O3S MolecularWeight: 258.33722

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CS(=O)(=O)O)NC1=CC(=C(C=C1)N)C

Isomeric SMILES

CCC(CS(=O)(=O)O)NC1=CC(=C(C=C1)N)C

InChI

InChI=1S/C11H18N2O3S/c1-3-9(7-17(14,15)16)13-10-4-5-11(12)8(2)6-10/h4-6,9,13H,3,7,12H2,1-2H3,(H,14,15,16)