2-methoxy-N-[2-(4-methoxyphenyl)-2-piperidin-1-yl-ethyl]-5-nitro-benzenesulfonamide

Systemtic Name: 2-methoxy-N-[2-(4-methoxyphenyl)-2-piperidin-1-yl-ethyl]-5-nitro-benzenesulfonamide Openeye Name: 2-methoxy-N-[2-(4-methoxyphenyl)-2-(1-piperidyl)ethyl]-5-nitro-benzenesulfonamide CAS Name: 2-methoxy-N-[2-(4-methoxyphenyl)-2-(1-piperidinyl)ethyl]-5-nitrobenzenesulfonamide IUPAC Name: 2-methoxy-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-5-nitrobenzenesulfonamide Traditional Name: 2-methoxy-N-[2-(4-methoxyphenyl)-2-piperidino-ethyl]-5-nitro-benzenesulfonamide Formula: C21H27N3O6S MolecularWeight: 449.52058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O6S/c1-29-18-9-6-16(7-10-18)19(23-12-4-3-5-13-23)15-22-31(27,28)21-14-17(24(25)26)8-11-20(21)30-2/h6-11,14,19,22H,3-5,12-13,15H2,1-2H3