2-[bis(phenylmethyl)amino]-5-(methylsulfonylamino)pyridine-3-carboxylic acid

Systemtic Name: 2-[bis(phenylmethyl)amino]-5-(methylsulfonylamino)pyridine-3-carboxylic acid Openeye Name: 2-(dibenzylamino)-5-(methanesulfonamido)pyridine-3-carboxylic acid CAS Name: 2-[bis(phenylmethyl)amino]-5-(methanesulfonamido)-3-pyridinecarboxylic acid IUPAC Name: 2-(dibenzylamino)-5-(methanesulfonamido)pyridine-3-carboxylic acid Traditional Name: 2-(dibenzylamino)-5-(methanesulfonamido)nicotinic acid Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=CN=C(C(=C1)C(=O)O)N(CC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)NC1=CN=C(C(=C1)C(=O)O)N(CC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C21H21N3O4S/c1-29(27,28)23-18-12-19(21(25)26)20(22-13-18)24(14-16-8-4-2-5-9-16)15-17-10-6-3-7-11-17/h2-13,23H,14-15H2,1H3,(H,25,26)