3-[[butyl-(3-chlorophenyl)amino]methyl]benzenesulfonic acid

Systemtic Name: 3-[[butyl-(3-chlorophenyl)amino]methyl]benzenesulfonic acid Openeye Name: 3-[(N-butyl-3-chloro-anilino)methyl]benzenesulfonic acid CAS Name: 3-[(N-butyl-3-chloroanilino)methyl]benzenesulfonic acid IUPAC Name: 3-[(N-butyl-3-chloroanilino)methyl]benzenesulfonic acid Traditional Name: 3-[(N-butyl-3-chloro-anilino)methyl]besylic acid Formula: C17H20ClNO3S MolecularWeight: 353.8636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC(=CC=C1)S(=O)(=O)O)C2=CC(=CC=C2)Cl

Isomeric SMILES

CCCCN(CC1=CC(=CC=C1)S(=O)(=O)O)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C17H20ClNO3S/c1-2-3-10-19(16-8-5-7-15(18)12-16)13-14-6-4-9-17(11-14)23(20,21)22/h4-9,11-12H,2-3,10,13H2,1H3,(H,20,21,22)