dimethyl 5-[2-[(4-chlorophenyl)-methylsulfonyl-amino]butanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2-[(4-chlorophenyl)-methylsulfonyl-amino]butanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[2-(4-chloro-N-methylsulfonyl-anilino)butanoylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-(4-chloro-N-methylsulfonylanilino)-1-oxobutyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[2-(4-chloro-N-methylsulfonylanilino)butanoylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[2-(4-chloro-N-mesyl-anilino)butanoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C21H23ClN2O7S MolecularWeight: 482.93452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN2O7S/c1-5-18(24(32(4,28)29)17-8-6-15(22)7-9-17)19(25)23-16-11-13(20(26)30-2)10-14(12-16)21(27)31-3/h6-12,18H,5H2,1-4H3,(H,23,25)