4-[4-(benzotriazol-1-yl)piperidin-1-yl]sulfonyl-N,N-dimethyl-benzenesulfonamide

Systemtic Name: 4-[4-(benzotriazol-1-yl)piperidin-1-yl]sulfonyl-N,N-dimethyl-benzenesulfonamide Openeye Name: 4-[[4-(benzotriazol-1-yl)-1-piperidyl]sulfonyl]-N,N-dimethyl-benzenesulfonamide CAS Name: 4-[[4-(1-benzotriazolyl)-1-piperidinyl]sulfonyl]-N,N-dimethylbenzenesulfonamide IUPAC Name: 4-[4-(benzotriazol-1-yl)piperidin-1-yl]sulfonyl-N,N-dimethylbenzenesulfonamide Traditional Name: 4-[4-(benzotriazol-1-yl)piperidino]sulfonyl-N,N-dimethyl-benzenesulfonamide Formula: C19H23N5O4S2 MolecularWeight: 449.54702

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)N3C4=CC=CC=C4N=N3

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C19H23N5O4S2/c1-22(2)29(25,26)16-7-9-17(10-8-16)30(27,28)23-13-11-15(12-14-23)24-19-6-4-3-5-18(19)20-21-24/h3-10,15H,11-14H2,1-2H3