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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(2-fluorophenyl)methyl]-4-pyrrolidin-1-ylsulfonyl-benzenesulfonamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(2-fluorophenyl)methyl]-4-pyrrolidin-1-ylsulfonyl-benzenesulfonamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(2-fluorophenyl)methyl]-4-(1-pyrrolidinylsulfonyl)benzenesulfonamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(2-fluorophenyl)methyl]-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide Traditional Name: N-(2-fluorobenzyl)-N-homoveratryl-4-pyrrolidinosulfonyl-benzenesulfonamide Formula: C27H31FN2O6S2 MolecularWeight: 562.673243

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN(CC2=CC=CC=C2F)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=C2F)S(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4)OC

InChI

InChI=1S/C27H31FN2O6S2/c1-35-26-14-9-21(19-27(26)36-2)15-18-30(20-22-7-3-4-8-25(22)28)38(33,34)24-12-10-23(11-13-24)37(31,32)29-16-5-6-17-29/h3-4,7-14,19H,5-6,15-18,20H2,1-2H3