2-nitro-N-(3-oxidanylbutyl)-N-phenethyl-benzenesulfonamide

Systemtic Name: 2-nitro-N-(3-oxidanylbutyl)-N-phenethyl-benzenesulfonamide Openeye Name: N-(3-hydroxybutyl)-2-nitro-N-phenethyl-benzenesulfonamide CAS Name: N-(3-hydroxybutyl)-2-nitro-N-phenethylbenzenesulfonamide IUPAC Name: N-(3-hydroxybutyl)-2-nitro-N-phenethylbenzenesulfonamide Traditional Name: N-(3-hydroxybutyl)-2-nitro-N-phenethyl-benzenesulfonamide Formula: C18H22N2O5S MolecularWeight: 378.44268

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCN(CCC1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])O

Isomeric SMILES

CC(CCN(CCC1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])O

InChI

InChI=1S/C18H22N2O5S/c1-15(21)11-13-19(14-12-16-7-3-2-4-8-16)26(24,25)18-10-6-5-9-17(18)20(22)23/h2-10,15,21H,11-14H2,1H3