1-[3-(1-propyl-5-pyrrolidin-1-ylsulfonyl-benzimidazol-2-yl)propanoyl]piperidin-4-one

Systemtic Name: 1-[3-(1-propyl-5-pyrrolidin-1-ylsulfonyl-benzimidazol-2-yl)propanoyl]piperidin-4-one Openeye Name: 1-[3-(1-propyl-5-pyrrolidin-1-ylsulfonyl-benzimidazol-2-yl)propanoyl]piperidin-4-one CAS Name: 1-[1-oxo-3-[1-propyl-5-(1-pyrrolidinylsulfonyl)-2-benzimidazolyl]propyl]-4-piperidinone IUPAC Name: 1-[3-(1-propyl-5-pyrrolidin-1-ylsulfonylbenzimidazol-2-yl)propanoyl]piperidin-4-one Traditional Name: 1-[3-(1-propyl-5-pyrrolidinosulfonyl-benzimidazol-2-yl)propanoyl]-4-piperidone Formula: C22H30N4O4S MolecularWeight: 446.563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)N=C1CCC(=O)N4CCC(=O)CC4

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)N=C1CCC(=O)N4CCC(=O)CC4

InChI

InChI=1S/C22H30N4O4S/c1-2-11-26-20-6-5-18(31(29,30)25-12-3-4-13-25)16-19(20)23-21(26)7-8-22(28)24-14-9-17(27)10-15-24/h5-6,16H,2-4,7-15H2,1H3