N-[3-(3-methoxyphenyl)propyl]-3-nitro-benzenesulfonamide

Systemtic Name: N-[3-(3-methoxyphenyl)propyl]-3-nitro-benzenesulfonamide Openeye Name: N-[3-(3-methoxyphenyl)propyl]-3-nitro-benzenesulfonamide CAS Name: N-[3-(3-methoxyphenyl)propyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[3-(3-methoxyphenyl)propyl]-3-nitrobenzenesulfonamide Traditional Name: N-[3-(3-methoxyphenyl)propyl]-3-nitro-benzenesulfonamide Formula: C16H18N2O5S MolecularWeight: 350.38952

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CCCNS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)CCCNS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H18N2O5S/c1-23-15-8-2-5-13(11-15)6-4-10-17-24(21,22)16-9-3-7-14(12-16)18(19)20/h2-3,5,7-9,11-12,17H,4,6,10H2,1H3