[2-oxidanylidene-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethyl] pyridine-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethyl] pyridine-3-carboxylate Openeye Name: [2-oxo-2-[4-[(E)-styryl]sulfonylpiperazin-1-yl]ethyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [2-oxo-2-[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [2-keto-2-[4-[(E)-styryl]sulfonylpiperazino]ethyl] ester Formula: C20H21N3O5S MolecularWeight: 415.46284

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)COC(=O)C2=CN=CC=C2)S(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C(=O)COC(=O)C2=CN=CC=C2)S(=O)(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C20H21N3O5S/c24-19(16-28-20(25)18-7-4-9-21-15-18)22-10-12-23(13-11-22)29(26,27)14-8-17-5-2-1-3-6-17/h1-9,14-15H,10-13,16H2/b14-8+