N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-4-methoxy-2,3,6-trimethyl-benzenesulfonamide

Systemtic Name: N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-4-methoxy-2,3,6-trimethyl-benzenesulfonamide Openeye Name: N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-4-methoxy-2,3,6-trimethyl-benzenesulfonamide CAS Name: N-[1-(1-benzotriazolylmethyl)-4-pyrazolyl]-4-methoxy-2,3,6-trimethylbenzenesulfonamide IUPAC Name: N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-4-methoxy-2,3,6-trimethylbenzenesulfonamide Traditional Name: N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-4-methoxy-2,3,6-trimethyl-benzenesulfonamide Formula: C20H22N6O3S MolecularWeight: 426.49208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1S(=O)(=O)NC2=CN(N=C2)CN3C4=CC=CC=C4N=N3)C)C)OC

Isomeric SMILES

CC1=CC(=C(C(=C1S(=O)(=O)NC2=CN(N=C2)CN3C4=CC=CC=C4N=N3)C)C)OC

InChI

InChI=1S/C20H22N6O3S/c1-13-9-19(29-4)14(2)15(3)20(13)30(27,28)23-16-10-21-25(11-16)12-26-18-8-6-5-7-17(18)22-24-26/h5-11,23H,12H2,1-4H3