[1-oxidanylidene-1-[4-(phenylsulfonyl)piperazin-1-yl]propan-2-yl] 2-phenoxypyridine-3-carboxylate

Systemtic Name: [1-oxidanylidene-1-[4-(phenylsulfonyl)piperazin-1-yl]propan-2-yl] 2-phenoxypyridine-3-carboxylate Openeye Name: [2-[4-(benzenesulfonyl)piperazin-1-yl]-1-methyl-2-oxo-ethyl] 2-phenoxypyridine-3-carboxylate CAS Name: 2-phenoxy-3-pyridinecarboxylic acid [1-[4-(benzenesulfonyl)-1-piperazinyl]-1-oxopropan-2-yl] ester IUPAC Name: [1-[4-(benzenesulfonyl)piperazin-1-yl]-1-oxopropan-2-yl] 2-phenoxypyridine-3-carboxylate Traditional Name: 2-phenoxynicotinic acid [2-(4-besylpiperazino)-2-keto-1-methyl-ethyl] ester Formula: C25H25N3O6S MolecularWeight: 495.5475

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2)OC(=O)C3=C(N=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

CC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2)OC(=O)C3=C(N=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C25H25N3O6S/c1-19(33-25(30)22-13-8-14-26-23(22)34-20-9-4-2-5-10-20)24(29)27-15-17-28(18-16-27)35(31,32)21-11-6-3-7-12-21/h2-14,19H,15-18H2,1H3