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

Systemtic Name: butyl 4-[[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]carbonylamino]benzoate Openeye Name: butyl 4-[[4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzoyl]amino]benzoate CAS Name: 4-[[[4-[(4-methylsulfonyl-1-piperazinyl)methyl]phenyl]-oxomethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzoyl]amino]benzoate Traditional Name: 4-[[4-[(4-mesylpiperazino)methyl]benzoyl]amino]benzoic acid butyl ester Formula: C24H31N3O5S MolecularWeight: 473.58504

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C24H31N3O5S/c1-3-4-17-32-24(29)21-9-11-22(12-10-21)25-23(28)20-7-5-19(6-8-20)18-26-13-15-27(16-14-26)33(2,30)31/h5-12H,3-4,13-18H2,1-2H3,(H,25,28)