N-(benzotriazol-1-ylmethyl)-4-methyl-benzenesulfonamide hydrate

Systemtic Name: N-(benzotriazol-1-ylmethyl)-4-methyl-benzenesulfonamide hydrate Openeye Name: N-(benzotriazol-1-ylmethyl)-4-methyl-benzenesulfonamide hydrate CAS Name: N-(1-benzotriazolylmethyl)-4-methylbenzenesulfonamide hydrate IUPAC Name: N-(benzotriazol-1-ylmethyl)-4-methylbenzenesulfonamide hydrate Traditional Name: N-(benzotriazol-1-ylmethyl)-4-methyl-benzenesulfonamide hydrate Formula: C14H16N4O3S MolecularWeight: 320.36684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCN2C3=CC=CC=C3N=N2.O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCN2C3=CC=CC=C3N=N2.O

InChI

InChI=1S/C14H14N4O2S.H2O/c1-11-6-8-12(9-7-11)21(19,20)15-10-18-14-5-3-2-4-13(14)16-17-18;/h2-9,15H,10H2,1H3;1H2