N-[2-(3,4-dimethoxyphenyl)ethyl]-4-piperidin-1-ylsulfonyl-benzenesulfonamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-piperidin-1-ylsulfonyl-benzenesulfonamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(1-piperidylsulfonyl)benzenesulfonamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(1-piperidinylsulfonyl)benzenesulfonamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-piperidin-1-ylsulfonylbenzenesulfonamide Traditional Name: N-homoveratryl-4-piperidinosulfonyl-benzenesulfonamide Formula: C21H28N2O6S2 MolecularWeight: 468.58682

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)OC

InChI

InChI=1S/C21H28N2O6S2/c1-28-20-11-6-17(16-21(20)29-2)12-13-22-30(24,25)18-7-9-19(10-8-18)31(26,27)23-14-4-3-5-15-23/h6-11,16,22H,3-5,12-15H2,1-2H3