N-[(E)-1-(benzotriazol-1-yl)heptan-2-ylideneamino]-4-methyl-benzenesulfonamide

Systemtic Name: N-[(E)-1-(benzotriazol-1-yl)heptan-2-ylideneamino]-4-methyl-benzenesulfonamide Openeye Name: N-[(E)-1-(benzotriazol-1-ylmethyl)hexylideneamino]-4-methyl-benzenesulfonamide CAS Name: N-[(E)-1-(1-benzotriazolyl)heptan-2-ylideneamino]-4-methylbenzenesulfonamide IUPAC Name: N-[(E)-1-(benzotriazol-1-yl)heptan-2-ylideneamino]-4-methylbenzenesulfonamide Traditional Name: N-[(E)-1-(benzotriazol-1-ylmethyl)hexylideneamino]-4-methyl-benzenesulfonamide Formula: C20H25N5O2S MolecularWeight: 399.5098

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=NNS(=O)(=O)C1=CC=C(C=C1)C)CN2C3=CC=CC=C3N=N2

Isomeric SMILES

CCCCC/C(=N\NS(=O)(=O)C1=CC=C(C=C1)C)/CN2C3=CC=CC=C3N=N2

InChI

InChI=1S/C20H25N5O2S/c1-3-4-5-8-17(15-25-20-10-7-6-9-19(20)22-23-25)21-24-28(26,27)18-13-11-16(2)12-14-18/h6-7,9-14,24H,3-5,8,15H2,1-2H3/b21-17+