3-(2-ethylbutylamino)-N-(2-imidazol-1-ylethyl)-5-pyrrolidin-1-ylsulfonyl-benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)CNC1=CC(=CC(=C1)C(=O)NCCN2C=CN=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CCC(CC)CNC1=CC(=CC(=C1)C(=O)NCCN2C=CN=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C22H33N5O3S/c1-3-18(4-2)16-25-20-13-19(22(28)24-8-12-26-11-7-23-17-26)14-21(15-20)31(29,30)27-9-5-6-10-27/h7,11,13-15,17-18,25H,3-6,8-10,12,16H2,1-2H3,(H,24,28)