N-[4-[4-[ethyl(2-hydroxyethyl)amino]butoxy]cyclohexyl]-N-methyl-4-nitro-benzenesulfonamide

Systemtic Name: N-[4-[4-[ethyl(2-hydroxyethyl)amino]butoxy]cyclohexyl]-N-methyl-4-nitro-benzenesulfonamide Openeye Name: N-[4-[4-[ethyl(2-hydroxyethyl)amino]butoxy]cyclohexyl]-N-methyl-4-nitro-benzenesulfonamide CAS Name: N-[4-[4-[ethyl(2-hydroxyethyl)amino]butoxy]cyclohexyl]-N-methyl-4-nitrobenzenesulfonamide IUPAC Name: N-[4-[4-[ethyl(2-hydroxyethyl)amino]butoxy]cyclohexyl]-N-methyl-4-nitrobenzenesulfonamide Traditional Name: N-[4-[4-[ethyl(2-hydroxyethyl)amino]butoxy]cyclohexyl]-N-methyl-4-nitro-benzenesulfonamide Formula: C21H35N3O6S MolecularWeight: 457.5841

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H35N3O6S/c1-3-23(15-16-25)14-4-5-17-30-20-10-6-18(7-11-20)22(2)31(28,29)21-12-8-19(9-13-21)24(26)27/h8-9,12-13,18,20,25H,3-7,10-11,14-17H2,1-2H3