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

Systemtic Name: 3-[[(3-acetamidophenyl)-butyl-amino]methyl]benzenesulfonic acid Openeye Name: 3-[(3-acetamido-N-butyl-anilino)methyl]benzenesulfonic acid CAS Name: 3-[(3-acetamido-N-butylanilino)methyl]benzenesulfonic acid IUPAC Name: 3-[(3-acetamido-N-butylanilino)methyl]benzenesulfonic acid Traditional Name: 3-[(3-acetamido-N-butyl-anilino)methyl]besylic acid Formula: C19H24N2O4S MolecularWeight: 376.46986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N2O4S/c1-3-4-11-21(18-9-6-8-17(13-18)20-15(2)22)14-16-7-5-10-19(12-16)26(23,24)25/h5-10,12-13H,3-4,11,14H2,1-2H3,(H,20,22)(H,23,24,25)