3-[[butyl-(2-methoxy-5-methyl-phenyl)amino]methyl]benzenesulfonic acid

Systemtic Name: 3-[[butyl-(2-methoxy-5-methyl-phenyl)amino]methyl]benzenesulfonic acid Openeye Name: 3-[(N-butyl-2-methoxy-5-methyl-anilino)methyl]benzenesulfonic acid CAS Name: 3-[(N-butyl-2-methoxy-5-methylanilino)methyl]benzenesulfonic acid IUPAC Name: 3-[(N-butyl-2-methoxy-5-methylanilino)methyl]benzenesulfonic acid Traditional Name: 3-[(N-butyl-2-methoxy-5-methyl-anilino)methyl]besylic acid Formula: C19H25NO4S MolecularWeight: 363.4711

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25NO4S/c1-4-5-11-20(18-12-15(2)9-10-19(18)24-3)14-16-7-6-8-17(13-16)25(21,22)23/h6-10,12-13H,4-5,11,14H2,1-3H3,(H,21,22,23)