methyl 4-[2-(1-naphthalen-2-ylsulfonylbenzimidazol-2-yl)sulfanylethanoylamino]benzoate

Systemtic Name: methyl 4-[2-(1-naphthalen-2-ylsulfonylbenzimidazol-2-yl)sulfanylethanoylamino]benzoate Openeye Name: methyl 4-[[2-[1-(2-naphthylsulfonyl)benzimidazol-2-yl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[1-(2-naphthalenylsulfonyl)-2-benzimidazolyl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(1-naphthalen-2-ylsulfonylbenzimidazol-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[1-(2-naphthylsulfonyl)benzimidazol-2-yl]thio]acetyl]amino]benzoic acid methyl ester Formula: C27H21N3O5S2 MolecularWeight: 531.60274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H21N3O5S2/c1-35-26(32)19-10-13-21(14-11-19)28-25(31)17-36-27-29-23-8-4-5-9-24(23)30(27)37(33,34)22-15-12-18-6-2-3-7-20(18)16-22/h2-16H,17H2,1H3,(H,28,31)