N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4-methoxy-N-methyl-3-nitro-benzenesulfonamide

Systemtic Name: N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4-methoxy-N-methyl-3-nitro-benzenesulfonamide Openeye Name: N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4-methoxy-N-methyl-3-nitro-benzenesulfonamide CAS Name: N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4-methoxy-N-methyl-3-nitrobenzenesulfonamide IUPAC Name: N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4-methoxy-N-methyl-3-nitrobenzenesulfonamide Traditional Name: N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4-methoxy-N-methyl-3-nitro-benzenesulfonamide Formula: C14H17N5O5S MolecularWeight: 367.38028

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NN=C2N1CCC2)S(=O)(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=NN=C2N1CCC2)S(=O)(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C14H17N5O5S/c1-17(9-14-16-15-13-4-3-7-18(13)14)25(22,23)10-5-6-12(24-2)11(8-10)19(20)21/h5-6,8H,3-4,7,9H2,1-2H3