2-[[(3-methylphenyl)-propyl-amino]methyl]benzenesulfonic acid

Systemtic Name: 2-[[(3-methylphenyl)-propyl-amino]methyl]benzenesulfonic acid Openeye Name: 2-[(3-methyl-N-propyl-anilino)methyl]benzenesulfonic acid CAS Name: 2-[(3-methyl-N-propylanilino)methyl]benzenesulfonic acid IUPAC Name: 2-[(3-methyl-N-propylanilino)methyl]benzenesulfonic acid Traditional Name: 2-[(3-methyl-N-propyl-anilino)methyl]besylic acid Formula: C17H21NO3S MolecularWeight: 319.41854

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=CC=CC=C1S(=O)(=O)O)C2=CC=CC(=C2)C

Isomeric SMILES

CCCN(CC1=CC=CC=C1S(=O)(=O)O)C2=CC=CC(=C2)C

InChI

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