2-[(4-methylphenyl)sulfonyl-phenyl-amino]ethyl pyridine-3-carboxylate

Systemtic Name: 2-[(4-methylphenyl)sulfonyl-phenyl-amino]ethyl pyridine-3-carboxylate Openeye Name: 2-[N-(p-tolylsulfonyl)anilino]ethyl pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid 2-(N-(4-methylphenyl)sulfonylanilino)ethyl ester IUPAC Name: 2-(N-(4-methylphenyl)sulfonylanilino)ethyl pyridine-3-carboxylate Traditional Name: nicotinic acid 2-(N-tosylanilino)ethyl ester Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CCOC(=O)C2=CN=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CCOC(=O)C2=CN=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H20N2O4S/c1-17-9-11-20(12-10-17)28(25,26)23(19-7-3-2-4-8-19)14-15-27-21(24)18-6-5-13-22-16-18/h2-13,16H,14-15H2,1H3