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

Systemtic Name: 3-[[butyl-(3-methylphenyl)amino]methyl]benzenesulfonic acid Openeye Name: 3-[(N-butyl-3-methyl-anilino)methyl]benzenesulfonic acid CAS Name: 3-[(N-butyl-3-methylanilino)methyl]benzenesulfonic acid IUPAC Name: 3-[(N-butyl-3-methylanilino)methyl]benzenesulfonic acid Traditional Name: 3-[(N-butyl-3-methyl-anilino)methyl]besylic acid Formula: C18H23NO3S MolecularWeight: 333.44512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23NO3S/c1-3-4-11-19(17-9-5-7-15(2)12-17)14-16-8-6-10-18(13-16)23(20,21)22/h5-10,12-13H,3-4,11,14H2,1-2H3,(H,20,21,22)