N-(3-imidazol-1-ylpropyl)-3-(2-phenylpropylamino)-5-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-(3-imidazol-1-ylpropyl)-3-(2-phenylpropylamino)-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-(3-imidazol-1-ylpropyl)-3-(2-phenylpropylamino)-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[3-(1-imidazolyl)propyl]-3-(2-phenylpropylamino)-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-(3-imidazol-1-ylpropyl)-3-(2-phenylpropylamino)-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-(3-imidazol-1-ylpropyl)-3-(2-phenylpropylamino)-5-pyrrolidinosulfonyl-benzamide Formula: C26H33N5O3S MolecularWeight: 495.63692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CNC1=CC(=CC(=C1)C(=O)NCCCN2C=CN=C2)S(=O)(=O)N3CCCC3)C4=CC=CC=C4

Isomeric SMILES

CC(CNC1=CC(=CC(=C1)C(=O)NCCCN2C=CN=C2)S(=O)(=O)N3CCCC3)C4=CC=CC=C4

InChI

InChI=1S/C26H33N5O3S/c1-21(22-8-3-2-4-9-22)19-29-24-16-23(26(32)28-10-7-12-30-15-11-27-20-30)17-25(18-24)35(33,34)31-13-5-6-14-31/h2-4,8-9,11,15-18,20-21,29H,5-7,10,12-14,19H2,1H3,(H,28,32)