3-[methylsulfonyl(pyridin-4-ylmethyl)amino]benzoic acid

Systemtic Name: 3-[methylsulfonyl(pyridin-4-ylmethyl)amino]benzoic acid Openeye Name: 3-[methylsulfonyl(4-pyridylmethyl)amino]benzoic acid CAS Name: 3-[methylsulfonyl(pyridin-4-ylmethyl)amino]benzoic acid IUPAC Name: 3-[methylsulfonyl(pyridin-4-ylmethyl)amino]benzoic acid Traditional Name: 3-[mesyl(4-pyridylmethyl)amino]benzoic acid Formula: C14H14N2O4S MolecularWeight: 306.33696

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC1=CC=NC=C1)C2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CS(=O)(=O)N(CC1=CC=NC=C1)C2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C14H14N2O4S/c1-21(19,20)16(10-11-5-7-15-8-6-11)13-4-2-3-12(9-13)14(17)18/h2-9H,10H2,1H3,(H,17,18)