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

Systemtic Name: N-(3-imidazol-1-ylpropyl)-3-(2-methylbutylamino)-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-(3-imidazol-1-ylpropyl)-3-(2-methylbutylamino)-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[3-(1-imidazolyl)propyl]-3-(2-methylbutylamino)-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-(3-imidazol-1-ylpropyl)-3-(2-methylbutylamino)-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-(3-imidazol-1-ylpropyl)-3-(2-methylbutylamino)-5-pyrrolidinosulfonyl-benzamide Formula: C22H33N5O3S MolecularWeight: 447.59412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H33N5O3S/c1-3-18(2)16-25-20-13-19(22(28)24-7-6-9-26-12-8-23-17-26)14-21(15-20)31(29,30)27-10-4-5-11-27/h8,12-15,17-18,25H,3-7,9-11,16H2,1-2H3,(H,24,28)