4-(1-naphthalen-2-ylsulfonylbenzimidazol-2-yl)sulfanylbut-2-ynyl 2-fluoranylbenzoate

Systemtic Name: 4-(1-naphthalen-2-ylsulfonylbenzimidazol-2-yl)sulfanylbut-2-ynyl 2-fluoranylbenzoate Openeye Name: 4-[1-(2-naphthylsulfonyl)benzimidazol-2-yl]sulfanylbut-2-ynyl 2-fluorobenzoate CAS Name: 2-fluorobenzoic 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-fluorobenzoate Traditional Name: 2-fluorobenzoic acid 4-[[1-(2-naphthylsulfonyl)benzimidazol-2-yl]thio]but-2-ynyl ester Formula: C28H19FN2O4S2 MolecularWeight: 530.589863

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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=C5F

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)N3C4=CC=CC=C4N=C3SCC#CCOC(=O)C5=CC=CC=C5F

InChI

InChI=1S/C28H19FN2O4S2/c29-24-12-4-3-11-23(24)27(32)35-17-7-8-18-36-28-30-25-13-5-6-14-26(25)31(28)37(33,34)22-16-15-20-9-1-2-10-21(20)19-22/h1-6,9-16,19H,17-18H2