N-[3-(2-phenylethynyl)phenyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide

Systemtic Name: N-[3-(2-phenylethynyl)phenyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Openeye Name: N-[3-(2-phenylethynyl)phenyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide CAS Name: N-[3-(2-phenylethynyl)phenyl]-3-[4-(1-pyrrolidinylsulfonyl)phenyl]propanamide IUPAC Name: N-[3-(2-phenylethynyl)phenyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Traditional Name: N-[3-(2-phenylethynyl)phenyl]-3-(4-pyrrolidinosulfonylphenyl)propionamide Formula: C27H26N2O3S MolecularWeight: 458.57194

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NC3=CC=CC(=C3)C#CC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NC3=CC=CC(=C3)C#CC4=CC=CC=C4

InChI

InChI=1S/C27H26N2O3S/c30-27(28-25-10-6-9-24(21-25)12-11-22-7-2-1-3-8-22)18-15-23-13-16-26(17-14-23)33(31,32)29-19-4-5-20-29/h1-3,6-10,13-14,16-17,21H,4-5,15,18-20H2,(H,28,30)