4-(1-naphthalen-2-ylsulfonylbenzimidazol-2-yl)sulfanylbut-2-ynyl 3-bromanylbenzoate

Systemtic Name: 4-(1-naphthalen-2-ylsulfonylbenzimidazol-2-yl)sulfanylbut-2-ynyl 3-bromanylbenzoate Openeye Name: 4-[1-(2-naphthylsulfonyl)benzimidazol-2-yl]sulfanylbut-2-ynyl 3-bromobenzoate CAS Name: 3-bromobenzoic acid 4-[[1-(2-naphthalenylsulfonyl)-2-benzimidazolyl]thio]but-2-ynyl ester IUPAC Name: 4-(1-naphthalen-2-ylsulfonylbenzimidazol-2-yl)sulfanylbut-2-ynyl 3-bromobenzoate Traditional Name: 3-bromobenzoic acid 4-[[1-(2-naphthylsulfonyl)benzimidazol-2-yl]thio]but-2-ynyl ester Formula: C28H19BrN2O4S2 MolecularWeight: 591.49546

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)N3C4=CC=CC=C4N=C3SCC#CCOC(=O)C5=CC(=CC=C5)Br

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)N3C4=CC=CC=C4N=C3SCC#CCOC(=O)C5=CC(=CC=C5)Br

InChI

InChI=1S/C28H19BrN2O4S2/c29-23-11-7-10-22(18-23)27(32)35-16-5-6-17-36-28-30-25-12-3-4-13-26(25)31(28)37(33,34)24-15-14-20-8-1-2-9-21(20)19-24/h1-4,7-15,18-19H,16-17H2