N-(1,3-benzodioxol-5-ylmethyl)-3-chloranyl-4-methyl-5-nitro-benzenesulfonamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-3-chloranyl-4-methyl-5-nitro-benzenesulfonamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-3-chloro-4-methyl-5-nitro-benzenesulfonamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-3-chloro-4-methyl-5-nitrobenzenesulfonamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-3-chloro-4-methyl-5-nitrobenzenesulfonamide Traditional Name: 3-chloro-4-methyl-5-nitro-N-piperonyl-benzenesulfonamide Formula: C15H13ClN2O6S MolecularWeight: 384.79152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)NCC2=CC3=C(C=C2)OCO3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)NCC2=CC3=C(C=C2)OCO3)Cl

InChI

InChI=1S/C15H13ClN2O6S/c1-9-12(16)5-11(6-13(9)18(19)20)25(21,22)17-7-10-2-3-14-15(4-10)24-8-23-14/h2-6,17H,7-8H2,1H3