methyl 2-chloranyl-5-[[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]carbonylamino]benzoate

Systemtic Name: methyl 2-chloranyl-5-[[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]carbonylamino]benzoate Openeye Name: methyl 2-chloro-5-[[4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzoyl]amino]benzoate CAS Name: 2-chloro-5-[[[4-[(4-methylsulfonyl-1-piperazinyl)methyl]phenyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-chloro-5-[[4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzoyl]amino]benzoate Traditional Name: 2-chloro-5-[[4-[(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=C(C=CC(=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)S(=O)(=O)C)Cl

Isomeric SMILES

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

InChI

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