methyl (2S,7Z)-1-(4-methylphenyl)sulfonyl-1-azacycloundec-7-en-5,9-diyne-2-carboxylate

Systemtic Name: methyl (2S,7Z)-1-(4-methylphenyl)sulfonyl-1-azacycloundec-7-en-5,9-diyne-2-carboxylate Openeye Name: methyl (2S,7Z)-1-(p-tolylsulfonyl)-1-azacycloundec-7-en-5,9-diyne-2-carboxylate CAS Name: (2S,7Z)-1-(4-methylphenyl)sulfonyl-1-azacycloundec-7-en-5,9-diyne-2-carboxylic acid methyl ester IUPAC Name: methyl (2S,7Z)-1-(4-methylphenyl)sulfonyl-1-azacycloundec-7-en-5,9-diyne-2-carboxylate Traditional Name: (2S,7Z)-1-tosyl-1-azacycloundec-7-en-5,9-diyne-2-carboxylic acid methyl ester Formula: C19H19NO4S MolecularWeight: 357.42346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC#CC=CC#CCCC2C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC#C/C=C\C#CCC[C@H]2C(=O)OC

InChI

InChI=1S/C19H19NO4S/c1-16-11-13-17(14-12-16)25(22,23)20-15-9-7-5-3-4-6-8-10-18(20)19(21)24-2/h3,5,11-14,18H,8,10,15H2,1-2H3/b5-3-/t18-/m0/s1