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

Systemtic Name: N-(2-imidazol-1-ylethyl)-3-(2-methylbutylamino)-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-(2-imidazol-1-ylethyl)-3-(2-methylbutylamino)-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[2-(1-imidazolyl)ethyl]-3-(2-methylbutylamino)-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-(2-imidazol-1-ylethyl)-3-(2-methylbutylamino)-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-(2-imidazol-1-ylethyl)-3-(2-methylbutylamino)-5-pyrrolidinosulfonyl-benzamide Formula: C21H31N5O3S MolecularWeight: 433.56754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31N5O3S/c1-3-17(2)15-24-19-12-18(21(27)23-7-11-25-10-6-22-16-25)13-20(14-19)30(28,29)26-8-4-5-9-26/h6,10,12-14,16-17,24H,3-5,7-9,11,15H2,1-2H3,(H,23,27)