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

Systemtic Name: N,N-dimethyl-4-[4-(1,2,4-triazol-1-ylmethyl)phenyl]carbonyl-piperazine-1-sulfonamide Openeye Name: N,N-dimethyl-4-[4-(1,2,4-triazol-1-ylmethyl)benzoyl]piperazine-1-sulfonamide CAS Name: N,N-dimethyl-4-[oxo-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-1-piperazinesulfonamide IUPAC Name: N,N-dimethyl-4-[4-(1,2,4-triazol-1-ylmethyl)benzoyl]piperazine-1-sulfonamide Traditional Name: N,N-dimethyl-4-[4-(1,2,4-triazol-1-ylmethyl)benzoyl]piperazine-1-sulfonamide Formula: C16H22N6O3S MolecularWeight: 378.44928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N6O3S/c1-19(2)26(24,25)22-9-7-20(8-10-22)16(23)15-5-3-14(4-6-15)11-21-13-17-12-18-21/h3-6,12-13H,7-11H2,1-2H3