N-[2-(4-methoxyphenyl)-2-piperidin-1-yl-ethyl]-4-nitro-benzenesulfonamide

Systemtic Name: N-[2-(4-methoxyphenyl)-2-piperidin-1-yl-ethyl]-4-nitro-benzenesulfonamide Openeye Name: N-[2-(4-methoxyphenyl)-2-(1-piperidyl)ethyl]-4-nitro-benzenesulfonamide CAS Name: N-[2-(4-methoxyphenyl)-2-(1-piperidinyl)ethyl]-4-nitrobenzenesulfonamide IUPAC Name: N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-4-nitrobenzenesulfonamide Traditional Name: N-[2-(4-methoxyphenyl)-2-piperidino-ethyl]-4-nitro-benzenesulfonamide Formula: C20H25N3O5S MolecularWeight: 419.4946

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])N3CCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)C(CNS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])N3CCCCC3

InChI

InChI=1S/C20H25N3O5S/c1-28-18-9-5-16(6-10-18)20(22-13-3-2-4-14-22)15-21-29(26,27)19-11-7-17(8-12-19)23(24)25/h5-12,20-21H,2-4,13-15H2,1H3