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

Systemtic Name: methyl 4-chloranyl-3-[[3-[(4-ethylsulfonylpiperazin-1-yl)methyl]phenyl]carbonylamino]benzoate Openeye Name: methyl 4-chloro-3-[[3-[(4-ethylsulfonylpiperazin-1-yl)methyl]benzoyl]amino]benzoate CAS Name: 4-chloro-3-[[[3-[(4-ethylsulfonyl-1-piperazinyl)methyl]phenyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[[3-[(4-ethylsulfonylpiperazin-1-yl)methyl]benzoyl]amino]benzoate Traditional Name: 4-chloro-3-[[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=C(C=CC(=C3)C(=O)OC)Cl

Isomeric SMILES

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

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)24-20-14-18(22(28)31-2)7-8-19(20)23/h4-8,13-14H,3,9-12,15H2,1-2H3,(H,24,27)