3-nitro-N-[3-(4-propan-2-yloxyphenyl)propyl]benzenesulfonamide

Systemtic Name: 3-nitro-N-[3-(4-propan-2-yloxyphenyl)propyl]benzenesulfonamide Openeye Name: N-[3-(4-isopropoxyphenyl)propyl]-3-nitro-benzenesulfonamide CAS Name: 3-nitro-N-[3-(4-propan-2-yloxyphenyl)propyl]benzenesulfonamide IUPAC Name: 3-nitro-N-[3-(4-propan-2-yloxyphenyl)propyl]benzenesulfonamide Traditional Name: N-[3-(4-isopropoxyphenyl)propyl]-3-nitro-benzenesulfonamide Formula: C18H22N2O5S MolecularWeight: 378.44268

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)CCCNS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)CCCNS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H22N2O5S/c1-14(2)25-17-10-8-15(9-11-17)5-4-12-19-26(23,24)18-7-3-6-16(13-18)20(21)22/h3,6-11,13-14,19H,4-5,12H2,1-2H3