ethyl 4-[4-[3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]carbonylpiperazin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-[3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]carbonylpiperazin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-[3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-[[3-[(2,6-dimethyl-4-morpholinyl)sulfonyl]phenyl]-oxomethyl]-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-[3-(2,6-dimethylmorpholino)sulfonylbenzoyl]piperazino]sulfonylbenzoic acid ethyl ester Formula: C26H33N3O8S2 MolecularWeight: 579.68552

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=CC=C3)S(=O)(=O)N4CC(OC(C4)C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=CC=C3)S(=O)(=O)N4CC(OC(C4)C)C

InChI

InChI=1S/C26H33N3O8S2/c1-4-36-26(31)21-8-10-23(11-9-21)38(32,33)28-14-12-27(13-15-28)25(30)22-6-5-7-24(16-22)39(34,35)29-17-19(2)37-20(3)18-29/h5-11,16,19-20H,4,12-15,17-18H2,1-3H3