dimethyl 5-[2-[phenethyl(phenylsulfonyl)amino]ethanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2-[phenethyl(phenylsulfonyl)amino]ethanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-[benzenesulfonyl(phenethyl)amino]acetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-[benzenesulfonyl(phenethyl)amino]-1-oxoethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-[benzenesulfonyl(phenethyl)amino]acetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-[besyl(phenethyl)amino]acetyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C26H26N2O7S MolecularWeight: 510.55884

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)CN(CCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)CN(CCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C26H26N2O7S/c1-34-25(30)20-15-21(26(31)35-2)17-22(16-20)27-24(29)18-28(14-13-19-9-5-3-6-10-19)36(32,33)23-11-7-4-8-12-23/h3-12,15-17H,13-14,18H2,1-2H3,(H,27,29)