4-(1-naphthalen-2-ylsulfonylbenzimidazol-2-yl)sulfanylbut-2-ynyl 3,4-bis(oxidanyl)benzoate

Systemtic Name: 4-(1-naphthalen-2-ylsulfonylbenzimidazol-2-yl)sulfanylbut-2-ynyl 3,4-bis(oxidanyl)benzoate Openeye Name: 4-[1-(2-naphthylsulfonyl)benzimidazol-2-yl]sulfanylbut-2-ynyl 3,4-dihydroxybenzoate CAS Name: 3,4-dihydroxybenzoic acid 4-[[1-(2-naphthalenylsulfonyl)-2-benzimidazolyl]thio]but-2-ynyl ester IUPAC Name: 4-(1-naphthalen-2-ylsulfonylbenzimidazol-2-yl)sulfanylbut-2-ynyl 3,4-dihydroxybenzoate Traditional Name: 3,4-dihydroxybenzoic acid 4-[[1-(2-naphthylsulfonyl)benzimidazol-2-yl]thio]but-2-ynyl ester Formula: C28H20N2O6S2 MolecularWeight: 544.5982

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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(=C(C=C5)O)O

Isomeric SMILES

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

InChI

InChI=1S/C28H20N2O6S2/c31-25-14-12-21(18-26(25)32)27(33)36-15-5-6-16-37-28-29-23-9-3-4-10-24(23)30(28)38(34,35)22-13-11-19-7-1-2-8-20(19)17-22/h1-4,7-14,17-18,31-32H,15-16H2