3-(cyclohexylamino)-N-(3-imidazol-1-ylpropyl)-5-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: 3-(cyclohexylamino)-N-(3-imidazol-1-ylpropyl)-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: 3-(cyclohexylamino)-N-(3-imidazol-1-ylpropyl)-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 3-(cyclohexylamino)-N-[3-(1-imidazolyl)propyl]-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: 3-(cyclohexylamino)-N-(3-imidazol-1-ylpropyl)-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: 3-(cyclohexylamino)-N-(3-imidazol-1-ylpropyl)-5-pyrrolidinosulfonyl-benzamide Formula: C23H33N5O3S MolecularWeight: 459.60482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2=CC(=CC(=C2)C(=O)NCCCN3C=CN=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

C1CCC(CC1)NC2=CC(=CC(=C2)C(=O)NCCCN3C=CN=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C23H33N5O3S/c29-23(25-9-6-11-27-14-10-24-18-27)19-15-21(26-20-7-2-1-3-8-20)17-22(16-19)32(30,31)28-12-4-5-13-28/h10,14-18,20,26H,1-9,11-13H2,(H,25,29)