N-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)-4-(2-phenylethynyl)benzamide

Systemtic Name: N-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)-4-(2-phenylethynyl)benzamide Openeye Name: N-[4-methoxy-3-(1-piperidylsulfonyl)phenyl]-4-(2-phenylethynyl)benzamide CAS Name: N-[4-methoxy-3-(1-piperidinylsulfonyl)phenyl]-4-(2-phenylethynyl)benzamide IUPAC Name: N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-4-(2-phenylethynyl)benzamide Traditional Name: N-(4-methoxy-3-piperidinosulfonyl-phenyl)-4-(2-phenylethynyl)benzamide Formula: C27H26N2O4S MolecularWeight: 474.57134

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)C#CC3=CC=CC=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)C#CC3=CC=CC=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C27H26N2O4S/c1-33-25-17-16-24(20-26(25)34(31,32)29-18-6-3-7-19-29)28-27(30)23-14-12-22(13-15-23)11-10-21-8-4-2-5-9-21/h2,4-5,8-9,12-17,20H,3,6-7,18-19H2,1H3,(H,28,30)