N-[1-(4-methoxyphenyl)-3-methyl-butyl]-4-nitro-benzenesulfonamide

Systemtic Name: N-[1-(4-methoxyphenyl)-3-methyl-butyl]-4-nitro-benzenesulfonamide Openeye Name: N-[1-(4-methoxyphenyl)-3-methyl-butyl]-4-nitro-benzenesulfonamide CAS Name: N-[1-(4-methoxyphenyl)-3-methylbutyl]-4-nitrobenzenesulfonamide IUPAC Name: N-[1-(4-methoxyphenyl)-3-methylbutyl]-4-nitrobenzenesulfonamide Traditional Name: N-[1-(4-methoxyphenyl)-3-methyl-butyl]-4-nitro-benzenesulfonamide Formula: C18H22N2O5S MolecularWeight: 378.44268

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CC=C(C=C1)OC)NS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)CC(C1=CC=C(C=C1)OC)NS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H22N2O5S/c1-13(2)12-18(14-4-8-16(25-3)9-5-14)19-26(23,24)17-10-6-15(7-11-17)20(21)22/h4-11,13,18-19H,12H2,1-3H3