butyl 4-[[3-[(4-ethylsulfonylpiperazin-1-yl)methyl]phenyl]carbonylamino]benzoate

Systemtic Name: butyl 4-[[3-[(4-ethylsulfonylpiperazin-1-yl)methyl]phenyl]carbonylamino]benzoate Openeye Name: butyl 4-[[3-[(4-ethylsulfonylpiperazin-1-yl)methyl]benzoyl]amino]benzoate CAS Name: 4-[[[3-[(4-ethylsulfonyl-1-piperazinyl)methyl]phenyl]-oxomethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[3-[(4-ethylsulfonylpiperazin-1-yl)methyl]benzoyl]amino]benzoate Traditional Name: 4-[[3-[(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(=CC=C2)CN3CCN(CC3)S(=O)(=O)CC

Isomeric SMILES

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

InChI

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