methyl (6Z)-1-(4-methylphenyl)sulfonyl-1-azacyclododec-6-en-4,8-diyne-2-carboxylate

Systemtic Name: methyl (6Z)-1-(4-methylphenyl)sulfonyl-1-azacyclododec-6-en-4,8-diyne-2-carboxylate Openeye Name: methyl (6Z)-1-(p-tolylsulfonyl)-1-azacyclododec-6-en-4,8-diyne-2-carboxylate CAS Name: (6Z)-1-(4-methylphenyl)sulfonyl-1-azacyclododec-6-en-4,8-diyne-2-carboxylic acid methyl ester IUPAC Name: methyl (6Z)-1-(4-methylphenyl)sulfonyl-1-azacyclododec-6-en-4,8-diyne-2-carboxylate Traditional Name: (6Z)-1-tosyl-1-azacyclododec-6-en-4,8-diyne-2-carboxylic acid methyl ester Formula: C20H21NO4S MolecularWeight: 371.45004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC#CC=CC#CCC2C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC#C/C=C\C#CCC2C(=O)OC

InChI

InChI=1S/C20H21NO4S/c1-17-12-14-18(15-13-17)26(23,24)21-16-10-8-6-4-3-5-7-9-11-19(21)20(22)25-2/h3,5,12-15,19H,8,10-11,16H2,1-2H3/b5-3-