N-(3-imidazol-1-ylpropyl)-3-(phenylmethyl)sulfonyl-propanamide

Systemtic Name: N-(3-imidazol-1-ylpropyl)-3-(phenylmethyl)sulfonyl-propanamide Openeye Name: 3-benzylsulfonyl-N-(3-imidazol-1-ylpropyl)propanamide CAS Name: N-[3-(1-imidazolyl)propyl]-3-(phenylmethyl)sulfonylpropanamide IUPAC Name: 3-benzylsulfonyl-N-(3-imidazol-1-ylpropyl)propanamide Traditional Name: 3-benzylsulfonyl-N-(3-imidazol-1-ylpropyl)propionamide Formula: C16H21N3O3S MolecularWeight: 335.42124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CS(=O)(=O)CCC(=O)NCCCN2C=CN=C2

Isomeric SMILES

C1=CC=C(C=C1)CS(=O)(=O)CCC(=O)NCCCN2C=CN=C2

InChI

InChI=1S/C16H21N3O3S/c20-16(18-8-4-10-19-11-9-17-14-19)7-12-23(21,22)13-15-5-2-1-3-6-15/h1-3,5-6,9,11,14H,4,7-8,10,12-13H2,(H,18,20)