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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(phenylmethyl)-4-pyrrolidin-1-ylsulfonyl-benzenesulfonamide Openeye Name: N-benzyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyrrolidin-1-ylsulfonyl-benzenesulfonamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(phenylmethyl)-4-(1-pyrrolidinylsulfonyl)benzenesulfonamide IUPAC Name: N-benzyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide Traditional Name: N-benzyl-N-homoveratryl-4-pyrrolidinosulfonyl-benzenesulfonamide Formula: C27H32N2O6S2 MolecularWeight: 544.68278

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN(CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN(CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4)OC

InChI

InChI=1S/C27H32N2O6S2/c1-34-26-15-10-22(20-27(26)35-2)16-19-29(21-23-8-4-3-5-9-23)37(32,33)25-13-11-24(12-14-25)36(30,31)28-17-6-7-18-28/h3-5,8-15,20H,6-7,16-19,21H2,1-2H3