N4-[2-(4-methoxyphenyl)-2-piperidin-1-yl-ethyl]benzene-1,4-disulfonamide

Systemtic Name: N4-[2-(4-methoxyphenyl)-2-piperidin-1-yl-ethyl]benzene-1,4-disulfonamide Openeye Name: N4-[2-(4-methoxyphenyl)-2-(1-piperidyl)ethyl]benzene-1,4-disulfonamide CAS Name: N4-[2-(4-methoxyphenyl)-2-(1-piperidinyl)ethyl]benzene-1,4-disulfonamide IUPAC Name: 4-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzene-1,4-disulfonamide Traditional Name: N'-[2-(4-methoxyphenyl)-2-piperidino-ethyl]benzene-1,4-disulfonamide Formula: C20H27N3O5S2 MolecularWeight: 453.57548

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N)N3CCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)C(CNS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N)N3CCCCC3

InChI

InChI=1S/C20H27N3O5S2/c1-28-17-7-5-16(6-8-17)20(23-13-3-2-4-14-23)15-22-30(26,27)19-11-9-18(10-12-19)29(21,24)25/h5-12,20,22H,2-4,13-15H2,1H3,(H2,21,24,25)