1-[(4-aminophenyl)-butyl-amino]butane-1-sulfonic acid

Systemtic Name: 1-[(4-aminophenyl)-butyl-amino]butane-1-sulfonic acid Openeye Name: 1-(4-amino-N-butyl-anilino)butane-1-sulfonic acid CAS Name: 1-(4-amino-N-butylanilino)-1-butanesulfonic acid IUPAC Name: 1-(4-amino-N-butylanilino)butane-1-sulfonic acid Traditional Name: 1-(4-amino-N-butyl-anilino)butane-1-sulfonic acid Formula: C14H24N2O3S MolecularWeight: 300.41696

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=CC=C(C=C1)N)C(CCC)S(=O)(=O)O

Isomeric SMILES

CCCCN(C1=CC=C(C=C1)N)C(CCC)S(=O)(=O)O

InChI

InChI=1S/C14H24N2O3S/c1-3-5-11-16(13-9-7-12(15)8-10-13)14(6-4-2)20(17,18)19/h7-10,14H,3-6,11,15H2,1-2H3,(H,17,18,19)