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

Systemtic Name: 4-(1-naphthalen-2-ylsulfonylbenzimidazol-2-yl)sulfanylbut-2-ynyl 2-nitrobenzoate Openeye Name: 4-[1-(2-naphthylsulfonyl)benzimidazol-2-yl]sulfanylbut-2-ynyl 2-nitrobenzoate CAS Name: 2-nitrobenzoic 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-nitrobenzoate Traditional Name: 2-nitrobenzoic acid 4-[[1-(2-naphthylsulfonyl)benzimidazol-2-yl]thio]but-2-ynyl ester Formula: C28H19N3O6S2 MolecularWeight: 557.59696

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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[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)N3C4=CC=CC=C4N=C3SCC#CCOC(=O)C5=CC=CC=C5[N+](=O)[O-]

InChI

InChI=1S/C28H19N3O6S2/c32-27(23-11-3-5-13-25(23)31(33)34)37-17-7-8-18-38-28-29-24-12-4-6-14-26(24)30(28)39(35,36)22-16-15-20-9-1-2-10-21(20)19-22/h1-6,9-16,19H,17-18H2