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

Systemtic Name: 4-[(4-azanyl-3-methyl-phenyl)-butyl-amino]butane-1-sulfonic acid Openeye Name: 4-(4-amino-N-butyl-3-methyl-anilino)butane-1-sulfonic acid CAS Name: 4-(4-amino-N-butyl-3-methylanilino)-1-butanesulfonic acid IUPAC Name: 4-(4-amino-N-butyl-3-methylanilino)butane-1-sulfonic acid Traditional Name: 4-(4-amino-N-butyl-3-methyl-anilino)butane-1-sulfonic acid Formula: C15H26N2O3S MolecularWeight: 314.44354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H26N2O3S/c1-3-4-9-17(10-5-6-11-21(18,19)20)14-7-8-15(16)13(2)12-14/h7-8,12H,3-6,9-11,16H2,1-2H3,(H,18,19,20)