butyl 4-[[4-[(4-ethylsulfonylpiperazin-1-yl)methyl]phenyl]carbonylamino]benzoate

Systemtic Name: butyl 4-[[4-[(4-ethylsulfonylpiperazin-1-yl)methyl]phenyl]carbonylamino]benzoate Openeye Name: butyl 4-[[4-[(4-ethylsulfonylpiperazin-1-yl)methyl]benzoyl]amino]benzoate CAS Name: 4-[[[4-[(4-ethylsulfonyl-1-piperazinyl)methyl]phenyl]-oxomethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[4-[(4-ethylsulfonylpiperazin-1-yl)methyl]benzoyl]amino]benzoate Traditional Name: 4-[[4-[(4-esylpiperazino)methyl]benzoyl]amino]benzoic acid butyl ester Formula: C25H33N3O5S MolecularWeight: 487.61162

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)S(=O)(=O)CC

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)S(=O)(=O)CC

InChI

InChI=1S/C25H33N3O5S/c1-3-5-18-33-25(30)22-10-12-23(13-11-22)26-24(29)21-8-6-20(7-9-21)19-27-14-16-28(17-15-27)34(31,32)4-2/h6-13H,3-5,14-19H2,1-2H3,(H,26,29)