dimethyl 5-[2-[(4-chlorophenyl)sulfonyl-ethyl-amino]ethanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2-[(4-chlorophenyl)sulfonyl-ethyl-amino]ethanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-[(4-chlorophenyl)sulfonyl-ethyl-amino]acetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-[(4-chlorophenyl)sulfonyl-ethylamino]-1-oxoethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-[(4-chlorophenyl)sulfonyl-ethylamino]acetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-[(4-chlorophenyl)sulfonyl-ethyl-amino]acetyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C20H21ClN2O7S MolecularWeight: 468.90794

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)NC1=CC(=CC(=C1)C(=O)OC)C(=O)OC)S(=O)(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCN(CC(=O)NC1=CC(=CC(=C1)C(=O)OC)C(=O)OC)S(=O)(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C20H21ClN2O7S/c1-4-23(31(27,28)17-7-5-15(21)6-8-17)12-18(24)22-16-10-13(19(25)29-2)9-14(11-16)20(26)30-3/h5-11H,4,12H2,1-3H3,(H,22,24)