N-[1-[(3-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-3,4-dimethoxy-benzenesulfonamide

Systemtic Name: N-[1-[(3-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-3,4-dimethoxy-benzenesulfonamide Openeye Name: N-[1-[(3-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-3,4-dimethoxy-benzenesulfonamide CAS Name: N-[1-[(3-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-3,4-dimethoxybenzenesulfonamide IUPAC Name: N-[1-[(3-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-3,4-dimethoxybenzenesulfonamide Traditional Name: N-[1-(3-chlorobenzyl)-1,2,4-triazol-3-yl]-3,4-dimethoxy-benzenesulfonamide Formula: C17H17ClN4O4S MolecularWeight: 408.85928

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NC2=NN(C=N2)CC3=CC(=CC=C3)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NC2=NN(C=N2)CC3=CC(=CC=C3)Cl)OC

InChI

InChI=1S/C17H17ClN4O4S/c1-25-15-7-6-14(9-16(15)26-2)27(23,24)21-17-19-11-22(20-17)10-12-4-3-5-13(18)8-12/h3-9,11H,10H2,1-2H3,(H,20,21)