[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl] 2-azanylpyridine-3-carboxylate

Systemtic Name: [2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl] 2-azanylpyridine-3-carboxylate Openeye Name: [2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl] 2-aminopyridine-3-carboxylate CAS Name: 2-amino-3-pyridinecarboxylic acid [2-[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-aminopyridine-3-carboxylate Traditional Name: 2-aminonicotinic acid [2-[4-(4-chlorophenyl)sulfonylpiperazino]-2-keto-ethyl] ester Formula: C18H19ClN4O5S MolecularWeight: 438.88526

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)COC(=O)C2=C(N=CC=C2)N)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CN(CCN1C(=O)COC(=O)C2=C(N=CC=C2)N)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H19ClN4O5S/c19-13-3-5-14(6-4-13)29(26,27)23-10-8-22(9-11-23)16(24)12-28-18(25)15-2-1-7-21-17(15)20/h1-7H,8-12H2,(H2,20,21)