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

Systemtic Name: methyl 3-[[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]carbonylamino]benzoate Openeye Name: methyl 3-[[4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzoyl]amino]benzoate CAS Name: 3-[[[4-[(4-methylsulfonyl-1-piperazinyl)methyl]phenyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzoyl]amino]benzoate Traditional Name: 3-[[4-[(4-mesylpiperazino)methyl]benzoyl]amino]benzoic acid methyl ester Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O5S/c1-29-21(26)18-4-3-5-19(14-18)22-20(25)17-8-6-16(7-9-17)15-23-10-12-24(13-11-23)30(2,27)28/h3-9,14H,10-13,15H2,1-2H3,(H,22,25)