(2S)-2-[3-(4-piperidin-1-ylsulfonylphenyl)propanoylamino]-N-propyl-propanamide

Systemtic Name: (2S)-2-[3-(4-piperidin-1-ylsulfonylphenyl)propanoylamino]-N-propyl-propanamide Openeye Name: (2S)-2-[3-[4-(1-piperidylsulfonyl)phenyl]propanoylamino]-N-propyl-propanamide CAS Name: (2S)-2-[[1-oxo-3-[4-(1-piperidinylsulfonyl)phenyl]propyl]amino]-N-propylpropanamide IUPAC Name: (2S)-2-[3-(4-piperidin-1-ylsulfonylphenyl)propanoylamino]-N-propylpropanamide Traditional Name: (2S)-2-[3-(4-piperidinosulfonylphenyl)propanoylamino]-N-propyl-propionamide Formula: C20H31N3O4S MolecularWeight: 409.54284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)NC(=O)CCC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2

Isomeric SMILES

CCCNC(=O)[C@H](C)NC(=O)CCC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2

InChI

InChI=1S/C20H31N3O4S/c1-3-13-21-20(25)16(2)22-19(24)12-9-17-7-10-18(11-8-17)28(26,27)23-14-5-4-6-15-23/h7-8,10-11,16H,3-6,9,12-15H2,1-2H3,(H,21,25)(H,22,24)/t16-/m0/s1