N-[7-(3-oxidanylidenepiperazin-1-yl)carbonyl-1-phenethyl-benzimidazol-5-yl]methanesulfonamide

Systemtic Name: N-[7-(3-oxidanylidenepiperazin-1-yl)carbonyl-1-phenethyl-benzimidazol-5-yl]methanesulfonamide Openeye Name: N-[7-(3-oxopiperazine-1-carbonyl)-1-phenethyl-benzimidazol-5-yl]methanesulfonamide CAS Name: N-[7-[oxo-(3-oxo-1-piperazinyl)methyl]-1-phenethyl-5-benzimidazolyl]methanesulfonamide IUPAC Name: N-[7-(3-oxopiperazine-1-carbonyl)-1-phenethylbenzimidazol-5-yl]methanesulfonamide Traditional Name: N-[7-(3-ketopiperazine-1-carbonyl)-1-phenethyl-benzimidazol-5-yl]methanesulfonamide Formula: C21H23N5O4S MolecularWeight: 441.50342

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=CC2=C(C(=C1)C(=O)N3CCNC(=O)C3)N(C=N2)CCC4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)NC1=CC2=C(C(=C1)C(=O)N3CCNC(=O)C3)N(C=N2)CCC4=CC=CC=C4

InChI

InChI=1S/C21H23N5O4S/c1-31(29,30)24-16-11-17(21(28)25-10-8-22-19(27)13-25)20-18(12-16)23-14-26(20)9-7-15-5-3-2-4-6-15/h2-6,11-12,14,24H,7-10,13H2,1H3,(H,22,27)