4-(1,3-benzodioxol-5-ylmethylamino)-N-(4-methylcyclohexyl)-3-nitro-benzenesulfonamide

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethylamino)-N-(4-methylcyclohexyl)-3-nitro-benzenesulfonamide Openeye Name: 4-(1,3-benzodioxol-5-ylmethylamino)-N-(4-methylcyclohexyl)-3-nitro-benzenesulfonamide CAS Name: 4-(1,3-benzodioxol-5-ylmethylamino)-N-(4-methylcyclohexyl)-3-nitrobenzenesulfonamide IUPAC Name: 4-(1,3-benzodioxol-5-ylmethylamino)-N-(4-methylcyclohexyl)-3-nitrobenzenesulfonamide Traditional Name: N-(4-methylcyclohexyl)-3-nitro-4-(piperonylamino)benzenesulfonamide Formula: C21H25N3O6S MolecularWeight: 447.5047

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)NS(=O)(=O)C2=CC(=C(C=C2)NCC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

Isomeric SMILES

CC1CCC(CC1)NS(=O)(=O)C2=CC(=C(C=C2)NCC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O6S/c1-14-2-5-16(6-3-14)23-31(27,28)17-7-8-18(19(11-17)24(25)26)22-12-15-4-9-20-21(10-15)30-13-29-20/h4,7-11,14,16,22-23H,2-3,5-6,12-13H2,1H3