4-(1-naphthalen-2-ylsulfonylbenzimidazol-2-yl)sulfanylbut-2-ynyl 2,2-dimethylpropanoate

Systemtic Name: 4-(1-naphthalen-2-ylsulfonylbenzimidazol-2-yl)sulfanylbut-2-ynyl 2,2-dimethylpropanoate Openeye Name: 4-[1-(2-naphthylsulfonyl)benzimidazol-2-yl]sulfanylbut-2-ynyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid 4-[[1-(2-naphthalenylsulfonyl)-2-benzimidazolyl]thio]but-2-ynyl ester IUPAC Name: 4-(1-naphthalen-2-ylsulfonylbenzimidazol-2-yl)sulfanylbut-2-ynyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid 4-[[1-(2-naphthylsulfonyl)benzimidazol-2-yl]thio]but-2-ynyl ester Formula: C26H24N2O4S2 MolecularWeight: 492.60976

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCC#CCSC1=NC2=CC=CC=C2N1S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CC(C)(C)C(=O)OCC#CCSC1=NC2=CC=CC=C2N1S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C26H24N2O4S2/c1-26(2,3)24(29)32-16-8-9-17-33-25-27-22-12-6-7-13-23(22)28(25)34(30,31)21-15-14-19-10-4-5-11-20(19)18-21/h4-7,10-15,18H,16-17H2,1-3H3