N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-4-methoxy-3-nitro-benzenesulfonamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-4-methoxy-3-nitro-benzenesulfonamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-4-methoxy-3-nitro-benzenesulfonamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-4-methoxy-3-nitrobenzenesulfonamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-4-methoxy-3-nitrobenzenesulfonamide Traditional Name: N-cyclopentyl-4-methoxy-3-nitro-N-piperonyl-benzenesulfonamide Formula: C20H22N2O7S MolecularWeight: 434.46288

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N(CC2=CC3=C(C=C2)OCO3)C4CCCC4)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N(CC2=CC3=C(C=C2)OCO3)C4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C20H22N2O7S/c1-27-18-9-7-16(11-17(18)22(23)24)30(25,26)21(15-4-2-3-5-15)12-14-6-8-19-20(10-14)29-13-28-19/h6-11,15H,2-5,12-13H2,1H3