methyl 2-chloranyl-5-[[3-[(4-ethylsulfonylpiperazin-1-yl)methyl]phenyl]carbonylamino]benzoate

Systemtic Name: methyl 2-chloranyl-5-[[3-[(4-ethylsulfonylpiperazin-1-yl)methyl]phenyl]carbonylamino]benzoate Openeye Name: methyl 2-chloro-5-[[3-[(4-ethylsulfonylpiperazin-1-yl)methyl]benzoyl]amino]benzoate CAS Name: 2-chloro-5-[[[3-[(4-ethylsulfonyl-1-piperazinyl)methyl]phenyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-chloro-5-[[3-[(4-ethylsulfonylpiperazin-1-yl)methyl]benzoyl]amino]benzoate Traditional Name: 2-chloro-5-[[3-[(4-esylpiperazino)methyl]benzoyl]amino]benzoic acid methyl ester Formula: C22H26ClN3O5S MolecularWeight: 479.97694

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCN(CC1)CC2=CC=CC(=C2)C(=O)NC3=CC(=C(C=C3)Cl)C(=O)OC

Isomeric SMILES

CCS(=O)(=O)N1CCN(CC1)CC2=CC=CC(=C2)C(=O)NC3=CC(=C(C=C3)Cl)C(=O)OC

InChI

InChI=1S/C22H26ClN3O5S/c1-3-32(29,30)26-11-9-25(10-12-26)15-16-5-4-6-17(13-16)21(27)24-18-7-8-20(23)19(14-18)22(28)31-2/h4-8,13-14H,3,9-12,15H2,1-2H3,(H,24,27)