N-methyl-2-[2-(4-methylphenyl)ethynyl-(phenylsulfonyl)amino]-N-phenethyl-pentanediamide

Systemtic Name: N-methyl-2-[2-(4-methylphenyl)ethynyl-(phenylsulfonyl)amino]-N-phenethyl-pentanediamide Openeye Name: 2-[benzenesulfonyl-[2-(p-tolyl)ethynyl]amino]-N-methyl-N-phenethyl-pentanediamide CAS Name: 2-[benzenesulfonyl-[2-(4-methylphenyl)ethynyl]amino]-N-methyl-N-phenethylpentanediamide IUPAC Name: 2-[benzenesulfonyl-[2-(4-methylphenyl)ethynyl]amino]-N-methyl-N-phenethylpentanediamide Traditional Name: 2-[besyl-[2-(p-tolyl)ethynyl]amino]-N-methyl-N-phenethyl-glutaramide Formula: C29H31N3O4S MolecularWeight: 517.63914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C#CN(C(CCC(=O)N)C(=O)N(C)CCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C#CN(C(CCC(=O)N)C(=O)N(C)CCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C29H31N3O4S/c1-23-13-15-25(16-14-23)20-22-32(37(35,36)26-11-7-4-8-12-26)27(17-18-28(30)33)29(34)31(2)21-19-24-9-5-3-6-10-24/h3-16,27H,17-19,21H2,1-2H3,(H2,30,33)