ethyl 5-[4-methoxy-3-[4-(phenylmethyl)piperazin-1-yl]sulfonyl-phenyl]-1,2-oxazole-3-carboxylate

Systemtic Name: ethyl 5-[4-methoxy-3-[4-(phenylmethyl)piperazin-1-yl]sulfonyl-phenyl]-1,2-oxazole-3-carboxylate Openeye Name: ethyl 5-[3-(4-benzylpiperazin-1-yl)sulfonyl-4-methoxy-phenyl]isoxazole-3-carboxylate CAS Name: 5-[4-methoxy-3-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]phenyl]-3-isoxazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[3-(4-benzylpiperazin-1-yl)sulfonyl-4-methoxyphenyl]-1,2-oxazole-3-carboxylate Traditional Name: 5-[3-(4-benzylpiperazino)sulfonyl-4-methoxy-phenyl]isoxazole-3-carboxylic acid ethyl ester Formula: C24H27N3O6S MolecularWeight: 485.55268

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NOC(=C1)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=NOC(=C1)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H27N3O6S/c1-3-32-24(28)20-16-22(33-25-20)19-9-10-21(31-2)23(15-19)34(29,30)27-13-11-26(12-14-27)17-18-7-5-4-6-8-18/h4-10,15-16H,3,11-14,17H2,1-2H3