4-[(phenylmethyl)-piperidin-4-yl-amino]benzenesulfonic acid

Systemtic Name: 4-[(phenylmethyl)-piperidin-4-yl-amino]benzenesulfonic acid Openeye Name: 4-[benzyl(4-piperidyl)amino]benzenesulfonic acid CAS Name: 4-[(phenylmethyl)-(4-piperidinyl)amino]benzenesulfonic acid IUPAC Name: 4-[benzyl(piperidin-4-yl)amino]benzenesulfonic acid Traditional Name: 4-[benzyl(4-piperidyl)amino]besylic acid Formula: C18H22N2O3S MolecularWeight: 346.44388

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1N(CC2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)O

Isomeric SMILES

C1CNCCC1N(CC2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)O

InChI

InChI=1S/C18H22N2O3S/c21-24(22,23)18-8-6-16(7-9-18)20(17-10-12-19-13-11-17)14-15-4-2-1-3-5-15/h1-9,17,19H,10-14H2,(H,21,22,23)