4-[1-(1H-imidazol-5-ylsulfonyl)piperidin-3-yl]carbonyl-1-phenethyl-piperazine-2,6-dione

Systemtic Name: 4-[1-(1H-imidazol-5-ylsulfonyl)piperidin-3-yl]carbonyl-1-phenethyl-piperazine-2,6-dione Openeye Name: 4-[1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carbonyl]-1-phenethyl-piperazine-2,6-dione CAS Name: 4-[[1-(1H-imidazol-5-ylsulfonyl)-3-piperidinyl]-oxomethyl]-1-phenethylpiperazine-2,6-dione IUPAC Name: 4-[1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carbonyl]-1-phenethylpiperazine-2,6-dione Traditional Name: 4-[1-(1H-imidazol-5-ylsulfonyl)nipecotoyl]-1-phenethyl-piperazine-2,6-quinone Formula: C21H25N5O5S MolecularWeight: 459.5187

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CN=CN2)C(=O)N3CC(=O)N(C(=O)C3)CCC4=CC=CC=C4

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CN=CN2)C(=O)N3CC(=O)N(C(=O)C3)CCC4=CC=CC=C4

InChI

InChI=1S/C21H25N5O5S/c27-19-13-24(14-20(28)26(19)10-8-16-5-2-1-3-6-16)21(29)17-7-4-9-25(12-17)32(30,31)18-11-22-15-23-18/h1-3,5-6,11,15,17H,4,7-10,12-14H2,(H,22,23)