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

Systemtic Name: N-[1-(4-methoxyphenyl)-3-methyl-butyl]-3-nitro-benzenesulfonamide Openeye Name: N-[1-(4-methoxyphenyl)-3-methyl-butyl]-3-nitro-benzenesulfonamide CAS Name: N-[1-(4-methoxyphenyl)-3-methylbutyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[1-(4-methoxyphenyl)-3-methylbutyl]-3-nitrobenzenesulfonamide Traditional Name: N-[1-(4-methoxyphenyl)-3-methyl-butyl]-3-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=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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