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

Systemtic Name: N-(3-imidazol-1-ylpropyl)-3-pyrrolidin-1-ylsulfonyl-5-(thiophen-3-ylmethylamino)benzamide Openeye Name: N-(3-imidazol-1-ylpropyl)-3-pyrrolidin-1-ylsulfonyl-5-(3-thienylmethylamino)benzamide CAS Name: N-[3-(1-imidazolyl)propyl]-3-(1-pyrrolidinylsulfonyl)-5-(3-thiophenylmethylamino)benzamide IUPAC Name: N-(3-imidazol-1-ylpropyl)-3-pyrrolidin-1-ylsulfonyl-5-(thiophen-3-ylmethylamino)benzamide Traditional Name: N-(3-imidazol-1-ylpropyl)-3-pyrrolidinosulfonyl-5-(3-thenylamino)benzamide Formula: C22H27N5O3S2 MolecularWeight: 473.61148

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=CC(=C2)NCC3=CSC=C3)C(=O)NCCCN4C=CN=C4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=CC(=C2)NCC3=CSC=C3)C(=O)NCCCN4C=CN=C4

InChI

InChI=1S/C22H27N5O3S2/c28-22(24-5-3-7-26-10-6-23-17-26)19-12-20(25-15-18-4-11-31-16-18)14-21(13-19)32(29,30)27-8-1-2-9-27/h4,6,10-14,16-17,25H,1-3,5,7-9,15H2,(H,24,28)