ethyl 6-(4-methylsulfonyl-1,4-diazepan-1-yl)pyridine-3-carboxylate

Systemtic Name: ethyl 6-(4-methylsulfonyl-1,4-diazepan-1-yl)pyridine-3-carboxylate Openeye Name: ethyl 6-(4-methylsulfonyl-1,4-diazepan-1-yl)pyridine-3-carboxylate CAS Name: 6-(4-methylsulfonyl-1,4-diazepan-1-yl)-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-(4-methylsulfonyl-1,4-diazepan-1-yl)pyridine-3-carboxylate Traditional Name: 6-(4-mesyl-1,4-diazepan-1-yl)nicotinic acid ethyl ester Formula: C14H21N3O4S MolecularWeight: 327.39924

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(C=C1)N2CCCN(CC2)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1=CN=C(C=C1)N2CCCN(CC2)S(=O)(=O)C

InChI

InChI=1S/C14H21N3O4S/c1-3-21-14(18)12-5-6-13(15-11-12)16-7-4-8-17(10-9-16)22(2,19)20/h5-6,11H,3-4,7-10H2,1-2H3