ethyl 6-[4-[2,5-bis(chloranyl)phenyl]sulfonylpiperazin-1-yl]pyridine-3-carboxylate

Systemtic Name: ethyl 6-[4-[2,5-bis(chloranyl)phenyl]sulfonylpiperazin-1-yl]pyridine-3-carboxylate Openeye Name: ethyl 6-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]pyridine-3-carboxylate CAS Name: 6-[4-(2,5-dichlorophenyl)sulfonyl-1-piperazinyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]pyridine-3-carboxylate Traditional Name: 6-[4-(2,5-dichlorophenyl)sulfonylpiperazino]nicotinic acid ethyl ester Formula: C18H19Cl2N3O4S MolecularWeight: 444.33216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19Cl2N3O4S/c1-2-27-18(24)13-3-6-17(21-12-13)22-7-9-23(10-8-22)28(25,26)16-11-14(19)4-5-15(16)20/h3-6,11-12H,2,7-10H2,1H3