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

Systemtic Name: N-[2-(4-methoxyphenyl)-2-piperidin-1-yl-ethyl]-2-nitro-benzenesulfonamide Openeye Name: N-[2-(4-methoxyphenyl)-2-(1-piperidyl)ethyl]-2-nitro-benzenesulfonamide CAS Name: N-[2-(4-methoxyphenyl)-2-(1-piperidinyl)ethyl]-2-nitrobenzenesulfonamide IUPAC Name: N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-nitrobenzenesulfonamide Traditional Name: N-[2-(4-methoxyphenyl)-2-piperidino-ethyl]-2-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=CC=C2[N+](=O)[O-])N3CCCCC3

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O5S/c1-28-17-11-9-16(10-12-17)19(22-13-5-2-6-14-22)15-21-29(26,27)20-8-4-3-7-18(20)23(24)25/h3-4,7-12,19,21H,2,5-6,13-15H2,1H3