N-[4-(cyanomethyl)phenyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide

Systemtic Name: N-[4-(cyanomethyl)phenyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide Openeye Name: N-[4-(cyanomethyl)phenyl]-3-[4-(1-piperidylsulfonyl)phenyl]propanamide CAS Name: N-[4-(cyanomethyl)phenyl]-3-[4-(1-piperidinylsulfonyl)phenyl]propanamide IUPAC Name: N-[4-(cyanomethyl)phenyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide Traditional Name: N-[4-(cyanomethyl)phenyl]-3-(4-piperidinosulfonylphenyl)propionamide Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NC3=CC=C(C=C3)CC#N

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NC3=CC=C(C=C3)CC#N

InChI

InChI=1S/C22H25N3O3S/c23-15-14-19-4-9-20(10-5-19)24-22(26)13-8-18-6-11-21(12-7-18)29(27,28)25-16-2-1-3-17-25/h4-7,9-12H,1-3,8,13-14,16-17H2,(H,24,26)