N-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)-2-[[3-(2-phenylethynyl)phenyl]amino]ethanamide

Systemtic Name: N-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)-2-[[3-(2-phenylethynyl)phenyl]amino]ethanamide Openeye Name: N-[2-methyl-5-(1-piperidylsulfonyl)phenyl]-2-[3-(2-phenylethynyl)anilino]acetamide CAS Name: N-[2-methyl-5-(1-piperidinylsulfonyl)phenyl]-2-[3-(2-phenylethynyl)anilino]acetamide IUPAC Name: N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-[3-(2-phenylethynyl)anilino]acetamide Traditional Name: N-(2-methyl-5-piperidinosulfonyl-phenyl)-2-[3-(2-phenylethynyl)anilino]acetamide Formula: C28H29N3O3S MolecularWeight: 487.61316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CNC3=CC=CC(=C3)C#CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CNC3=CC=CC(=C3)C#CC4=CC=CC=C4

InChI

InChI=1S/C28H29N3O3S/c1-22-13-16-26(35(33,34)31-17-6-3-7-18-31)20-27(22)30-28(32)21-29-25-12-8-11-24(19-25)15-14-23-9-4-2-5-10-23/h2,4-5,8-13,16,19-20,29H,3,6-7,17-18,21H2,1H3,(H,30,32)