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

Systemtic Name: methyl 4-chloranyl-3-[[3-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]carbonylamino]benzoate Openeye Name: methyl 4-chloro-3-[[3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzoyl]amino]benzoate CAS Name: 4-chloro-3-[[[3-[(4-methylsulfonyl-1-piperazinyl)methyl]phenyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[[3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzoyl]amino]benzoate Traditional Name: 4-chloro-3-[[3-[(4-mesylpiperazino)methyl]benzoyl]amino]benzoic acid methyl ester Formula: C21H24ClN3O5S MolecularWeight: 465.95036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClN3O5S/c1-30-21(27)17-6-7-18(22)19(13-17)23-20(26)16-5-3-4-15(12-16)14-24-8-10-25(11-9-24)31(2,28)29/h3-7,12-13H,8-11,14H2,1-2H3,(H,23,26)