ethyl 6-[4-(phenylsulfonyl)piperazin-1-yl]pyridine-3-carboxylate

Systemtic Name: ethyl 6-[4-(phenylsulfonyl)piperazin-1-yl]pyridine-3-carboxylate Openeye Name: ethyl 6-[4-(benzenesulfonyl)piperazin-1-yl]pyridine-3-carboxylate CAS Name: 6-[4-(benzenesulfonyl)-1-piperazinyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[4-(benzenesulfonyl)piperazin-1-yl]pyridine-3-carboxylate Traditional Name: 6-(4-besylpiperazino)nicotinic acid ethyl ester Formula: C18H21N3O4S MolecularWeight: 375.44204

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(C=C1)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CN=C(C=C1)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H21N3O4S/c1-2-25-18(22)15-8-9-17(19-14-15)20-10-12-21(13-11-20)26(23,24)16-6-4-3-5-7-16/h3-9,14H,2,10-13H2,1H3