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

Systemtic Name: methyl 3-[[3-[(4-ethylsulfonylpiperazin-1-yl)methyl]phenyl]carbonylamino]benzoate Openeye Name: methyl 3-[[3-[(4-ethylsulfonylpiperazin-1-yl)methyl]benzoyl]amino]benzoate CAS Name: 3-[[[3-[(4-ethylsulfonyl-1-piperazinyl)methyl]phenyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[3-[(4-ethylsulfonylpiperazin-1-yl)methyl]benzoyl]amino]benzoate Traditional Name: 3-[[3-[(4-esylpiperazino)methyl]benzoyl]amino]benzoic acid methyl ester Formula: C22H27N3O5S MolecularWeight: 445.53188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O5S/c1-3-31(28,29)25-12-10-24(11-13-25)16-17-6-4-7-18(14-17)21(26)23-20-9-5-8-19(15-20)22(27)30-2/h4-9,14-15H,3,10-13,16H2,1-2H3,(H,23,26)