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

Systemtic Name: N-methyl-2-[2-(4-methylphenyl)ethynyl-(phenylsulfonyl)amino]-N-(phenylmethyl)pentanediamide Openeye Name: 2-[benzenesulfonyl-[2-(p-tolyl)ethynyl]amino]-N-benzyl-N-methyl-pentanediamide CAS Name: 2-[benzenesulfonyl-[2-(4-methylphenyl)ethynyl]amino]-N-methyl-N-(phenylmethyl)pentanediamide IUPAC Name: 2-[benzenesulfonyl-[2-(4-methylphenyl)ethynyl]amino]-N-benzyl-N-methylpentanediamide Traditional Name: N-benzyl-2-[besyl-[2-(p-tolyl)ethynyl]amino]-N-methyl-glutaramide Formula: C28H29N3O4S MolecularWeight: 503.61256

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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)CC2=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)CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C28H29N3O4S/c1-22-13-15-23(16-14-22)19-20-31(36(34,35)25-11-7-4-8-12-25)26(17-18-27(29)32)28(33)30(2)21-24-9-5-3-6-10-24/h3-16,26H,17-18,21H2,1-2H3,(H2,29,32)