dimethyl 5-[2-(1-naphthalen-2-ylsulfonylbenzimidazol-2-yl)sulfanylethanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2-(1-naphthalen-2-ylsulfonylbenzimidazol-2-yl)sulfanylethanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-[1-(2-naphthylsulfonyl)benzimidazol-2-yl]sulfanylacetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-[[1-(2-naphthalenylsulfonyl)-2-benzimidazolyl]thio]-1-oxoethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-(1-naphthalen-2-ylsulfonylbenzimidazol-2-yl)sulfanylacetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-[[1-(2-naphthylsulfonyl)benzimidazol-2-yl]thio]acetyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C29H23N3O7S2 MolecularWeight: 589.63882

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)CSC2=NC3=CC=CC=C3N2S(=O)(=O)C4=CC5=CC=CC=C5C=C4)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)CSC2=NC3=CC=CC=C3N2S(=O)(=O)C4=CC5=CC=CC=C5C=C4)C(=O)OC

InChI

InChI=1S/C29H23N3O7S2/c1-38-27(34)20-13-21(28(35)39-2)15-22(14-20)30-26(33)17-40-29-31-24-9-5-6-10-25(24)32(29)41(36,37)23-12-11-18-7-3-4-8-19(18)16-23/h3-16H,17H2,1-2H3,(H,30,33)