dimethyl 5-[[3-[(4-ethylsulfonylpiperazin-1-yl)methyl]phenyl]carbonylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[3-[(4-ethylsulfonylpiperazin-1-yl)methyl]phenyl]carbonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[3-[(4-ethylsulfonylpiperazin-1-yl)methyl]benzoyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[[3-[(4-ethylsulfonyl-1-piperazinyl)methyl]phenyl]-oxomethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[3-[(4-ethylsulfonylpiperazin-1-yl)methyl]benzoyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[3-[(4-esylpiperazino)methyl]benzoyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C24H29N3O7S MolecularWeight: 503.56796

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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)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C24H29N3O7S/c1-4-35(31,32)27-10-8-26(9-11-27)16-17-6-5-7-18(12-17)22(28)25-21-14-19(23(29)33-2)13-20(15-21)24(30)34-3/h5-7,12-15H,4,8-11,16H2,1-3H3,(H,25,28)