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

Systemtic Name: 4-(1-naphthalen-2-ylsulfonylbenzimidazol-2-yl)sulfanylbut-2-ynyl 4-methoxybenzoate Openeye Name: 4-[1-(2-naphthylsulfonyl)benzimidazol-2-yl]sulfanylbut-2-ynyl 4-methoxybenzoate CAS Name: 4-methoxybenzoic 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-methoxybenzoate Traditional Name: 4-methoxybenzoic acid 4-[[1-(2-naphthylsulfonyl)benzimidazol-2-yl]thio]but-2-ynyl ester Formula: C29H22N2O5S2 MolecularWeight: 542.62538

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)OCC#CCSC2=NC3=CC=CC=C3N2S(=O)(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)OCC#CCSC2=NC3=CC=CC=C3N2S(=O)(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C29H22N2O5S2/c1-35-24-15-12-22(13-16-24)28(32)36-18-6-7-19-37-29-30-26-10-4-5-11-27(26)31(29)38(33,34)25-17-14-21-8-2-3-9-23(21)20-25/h2-5,8-17,20H,18-19H2,1H3