N-(4-methylphenyl)sulfonyl-7-(4-nitrophenyl)hept-6-ynamide

Systemtic Name: N-(4-methylphenyl)sulfonyl-7-(4-nitrophenyl)hept-6-ynamide Openeye Name: 7-(4-nitrophenyl)-N-(p-tolylsulfonyl)hept-6-ynamide CAS Name: N-(4-methylphenyl)sulfonyl-7-(4-nitrophenyl)-6-heptynamide IUPAC Name: N-(4-methylphenyl)sulfonyl-7-(4-nitrophenyl)hept-6-ynamide Traditional Name: 7-(4-nitrophenyl)-N-tosyl-hept-6-ynamide Formula: C20H20N2O5S MolecularWeight: 400.4482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)CCCCC#CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)CCCCC#CC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H20N2O5S/c1-16-8-14-19(15-9-16)28(26,27)21-20(23)7-5-3-2-4-6-17-10-12-18(13-11-17)22(24)25/h8-15H,2-3,5,7H2,1H3,(H,21,23)