2-[[butyl(phenyl)amino]methyl]benzenesulfonic acid

Systemtic Name: 2-[[butyl(phenyl)amino]methyl]benzenesulfonic acid Openeye Name: 2-[(N-butylanilino)methyl]benzenesulfonic acid CAS Name: 2-[(N-butylanilino)methyl]benzenesulfonic acid IUPAC Name: 2-[(N-butylanilino)methyl]benzenesulfonic acid Traditional Name: 2-[(N-butylanilino)methyl]besylic acid Formula: C17H21NO3S MolecularWeight: 319.41854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC=CC=C1S(=O)(=O)O)C2=CC=CC=C2

Isomeric SMILES

CCCCN(CC1=CC=CC=C1S(=O)(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C17H21NO3S/c1-2-3-13-18(16-10-5-4-6-11-16)14-15-9-7-8-12-17(15)22(19,20)21/h4-12H,2-3,13-14H2,1H3,(H,19,20,21)