N-methyl-N-[4-[4-[methyl(prop-2-enyl)amino]butoxy]cyclohexyl]-4-nitro-benzenesulfonamide

Systemtic Name: N-methyl-N-[4-[4-[methyl(prop-2-enyl)amino]butoxy]cyclohexyl]-4-nitro-benzenesulfonamide Openeye Name: N-[4-[4-[allyl(methyl)amino]butoxy]cyclohexyl]-N-methyl-4-nitro-benzenesulfonamide CAS Name: N-methyl-N-[4-[4-[methyl(prop-2-enyl)amino]butoxy]cyclohexyl]-4-nitrobenzenesulfonamide IUPAC Name: N-methyl-N-[4-[4-[methyl(prop-2-enyl)amino]butoxy]cyclohexyl]-4-nitrobenzenesulfonamide Traditional Name: N-[4-[4-[allyl(methyl)amino]butoxy]cyclohexyl]-N-methyl-4-nitro-benzenesulfonamide Formula: C21H33N3O5S MolecularWeight: 439.56882

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCCOC1CCC(CC1)N(C)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])CC=C

Isomeric SMILES

CN(CCCCOC1CCC(CC1)N(C)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])CC=C

InChI

InChI=1S/C21H33N3O5S/c1-4-15-22(2)16-5-6-17-29-20-11-7-18(8-12-20)23(3)30(27,28)21-13-9-19(10-14-21)24(25)26/h4,9-10,13-14,18,20H,1,5-8,11-12,15-17H2,2-3H3