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

Systemtic Name: phenylsulfonyl 5-azanyl-2-[methyl(phenethyl)amino]-2-[2-(4-methylphenyl)ethynyl]-5-oxidanylidene-pentanoate Openeye Name: benzenesulfonyl 5-amino-2-[methyl(phenethyl)amino]-5-oxo-2-[2-(p-tolyl)ethynyl]pentanoate CAS Name: 5-amino-2-[methyl(phenethyl)amino]-2-[2-(4-methylphenyl)ethynyl]-5-oxopentanoic acid benzenesulfonyl ester IUPAC Name: benzenesulfonyl 5-amino-2-[methyl(phenethyl)amino]-2-[2-(4-methylphenyl)ethynyl]-5-oxopentanoate Traditional Name: 2-(3-amino-3-keto-propyl)-2-[methyl(phenethyl)amino]-4-(p-tolyl)but-3-ynoic acid besyl ester Formula: C29H30N2O5S MolecularWeight: 518.6239

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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)CCC3=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)CCC3=CC=CC=C3

InChI

InChI=1S/C29H30N2O5S/c1-23-13-15-25(16-14-23)17-20-29(21-18-27(30)32,31(2)22-19-24-9-5-3-6-10-24)28(33)36-37(34,35)26-11-7-4-8-12-26/h3-16H,18-19,21-22H2,1-2H3,(H2,30,32)