phenylsulfonyl 5-azanyl-2-[2-(4-methylphenyl)ethynyl]-2-[methyl-(phenylmethyl)amino]-5-oxidanylidene-pentanoate

Systemtic Name: phenylsulfonyl 5-azanyl-2-[2-(4-methylphenyl)ethynyl]-2-[methyl-(phenylmethyl)amino]-5-oxidanylidene-pentanoate Openeye Name: benzenesulfonyl 5-amino-2-[benzyl(methyl)amino]-5-oxo-2-[2-(p-tolyl)ethynyl]pentanoate CAS Name: 5-amino-2-[2-(4-methylphenyl)ethynyl]-2-[methyl-(phenylmethyl)amino]-5-oxopentanoic acid benzenesulfonyl ester IUPAC Name: benzenesulfonyl 5-amino-2-[benzyl(methyl)amino]-2-[2-(4-methylphenyl)ethynyl]-5-oxopentanoate Traditional Name: 2-(3-amino-3-keto-propyl)-2-[benzyl(methyl)amino]-4-(p-tolyl)but-3-ynoic acid besyl ester Formula: C28H28N2O5S MolecularWeight: 504.59732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C#CC(CCC(=O)N)(C(=O)OS(=O)(=O)C2=CC=CC=C2)N(C)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C#CC(CCC(=O)N)(C(=O)OS(=O)(=O)C2=CC=CC=C2)N(C)CC3=CC=CC=C3

InChI

InChI=1S/C28H28N2O5S/c1-22-13-15-23(16-14-22)17-19-28(20-18-26(29)31,30(2)21-24-9-5-3-6-10-24)27(32)35-36(33,34)25-11-7-4-8-12-25/h3-16H,18,20-21H2,1-2H3,(H2,29,31)