[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl] 2-methyl-6-phenyl-pyridine-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl] 2-methyl-6-phenyl-pyridine-3-carboxylate Openeye Name: [2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxo-ethyl] 2-methyl-6-phenyl-pyridine-3-carboxylate CAS Name: 2-methyl-6-phenyl-3-pyridinecarboxylic acid [2-[4-(benzenesulfonyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl] 2-methyl-6-phenylpyridine-3-carboxylate Traditional Name: 2-methyl-6-phenyl-nicotinic acid [2-(4-besylpiperazino)-2-keto-ethyl] ester Formula: C25H25N3O5S MolecularWeight: 479.5481

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=N1)C2=CC=CC=C2)C(=O)OCC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC(=N1)C2=CC=CC=C2)C(=O)OCC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H25N3O5S/c1-19-22(12-13-23(26-19)20-8-4-2-5-9-20)25(30)33-18-24(29)27-14-16-28(17-15-27)34(31,32)21-10-6-3-7-11-21/h2-13H,14-18H2,1H3