2-[2-(cyclohexen-1-yl)ethylamino]-N-(2-methoxyphenyl)-5-nitro-benzenesulfonamide

Systemtic Name: 2-[2-(cyclohexen-1-yl)ethylamino]-N-(2-methoxyphenyl)-5-nitro-benzenesulfonamide Openeye Name: 2-[2-(cyclohexen-1-yl)ethylamino]-N-(2-methoxyphenyl)-5-nitro-benzenesulfonamide CAS Name: 2-[2-(1-cyclohexenyl)ethylamino]-N-(2-methoxyphenyl)-5-nitrobenzenesulfonamide IUPAC Name: 2-[2-(cyclohexen-1-yl)ethylamino]-N-(2-methoxyphenyl)-5-nitrobenzenesulfonamide Traditional Name: 2-[2-(cyclohexen-1-yl)ethylamino]-N-(2-methoxyphenyl)-5-nitro-benzenesulfonamide Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NS(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCC3=CCCCC3

Isomeric SMILES

COC1=CC=CC=C1NS(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCC3=CCCCC3

InChI

InChI=1S/C21H25N3O5S/c1-29-20-10-6-5-9-18(20)23-30(27,28)21-15-17(24(25)26)11-12-19(21)22-14-13-16-7-3-2-4-8-16/h5-7,9-12,15,22-23H,2-4,8,13-14H2,1H3