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

Systemtic Name: 4-(1-naphthalen-2-ylsulfonylbenzimidazol-2-yl)sulfanylbut-2-ynyl 4-chloranylbenzoate Openeye Name: 4-[1-(2-naphthylsulfonyl)benzimidazol-2-yl]sulfanylbut-2-ynyl 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid 4-[[1-(2-naphthalenylsulfonyl)-2-benzimidazolyl]thio]but-2-ynyl ester IUPAC Name: 4-(1-naphthalen-2-ylsulfonylbenzimidazol-2-yl)sulfanylbut-2-ynyl 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid 4-[[1-(2-naphthylsulfonyl)benzimidazol-2-yl]thio]but-2-ynyl ester Formula: C28H19ClN2O4S2 MolecularWeight: 547.04446

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C28H19ClN2O4S2/c29-23-14-11-21(12-15-23)27(32)35-17-5-6-18-36-28-30-25-9-3-4-10-26(25)31(28)37(33,34)24-16-13-20-7-1-2-8-22(20)19-24/h1-4,7-16,19H,17-18H2