4-methoxy-N-[2-(4-methoxyphenyl)-2-piperidin-1-yl-ethyl]-3-nitro-benzenesulfonamide

Systemtic Name: 4-methoxy-N-[2-(4-methoxyphenyl)-2-piperidin-1-yl-ethyl]-3-nitro-benzenesulfonamide Openeye Name: 4-methoxy-N-[2-(4-methoxyphenyl)-2-(1-piperidyl)ethyl]-3-nitro-benzenesulfonamide CAS Name: 4-methoxy-N-[2-(4-methoxyphenyl)-2-(1-piperidinyl)ethyl]-3-nitrobenzenesulfonamide IUPAC Name: 4-methoxy-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-nitrobenzenesulfonamide Traditional Name: 4-methoxy-N-[2-(4-methoxyphenyl)-2-piperidino-ethyl]-3-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=CC(=C(C=C2)OC)[N+](=O)[O-])N3CCCCC3

Isomeric SMILES

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

InChI

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