N,N-diethyl-4-[4-(1,2,4-triazol-1-ylmethyl)phenyl]carbonyl-piperazine-1-sulfonamide

Systemtic Name: N,N-diethyl-4-[4-(1,2,4-triazol-1-ylmethyl)phenyl]carbonyl-piperazine-1-sulfonamide Openeye Name: N,N-diethyl-4-[4-(1,2,4-triazol-1-ylmethyl)benzoyl]piperazine-1-sulfonamide CAS Name: N,N-diethyl-4-[oxo-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-1-piperazinesulfonamide IUPAC Name: N,N-diethyl-4-[4-(1,2,4-triazol-1-ylmethyl)benzoyl]piperazine-1-sulfonamide Traditional Name: N,N-diethyl-4-[4-(1,2,4-triazol-1-ylmethyl)benzoyl]piperazine-1-sulfonamide Formula: C18H26N6O3S MolecularWeight: 406.50244

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)CN3C=NC=N3

Isomeric SMILES

CCN(CC)S(=O)(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)CN3C=NC=N3

InChI

InChI=1S/C18H26N6O3S/c1-3-23(4-2)28(26,27)24-11-9-21(10-12-24)18(25)17-7-5-16(6-8-17)13-22-15-19-14-20-22/h5-8,14-15H,3-4,9-13H2,1-2H3