N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-N-methyl-3-[4-(3-methylbutanoyl)piperazin-1-yl]benzenesulfonamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-N-methyl-3-[4-(3-methylbutanoyl)piperazin-1-yl]benzenesulfonamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-N-methyl-3-[4-(3-methylbutanoyl)piperazin-1-yl]benzenesulfonamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-N-methyl-3-[4-(3-methyl-1-oxobutyl)-1-piperazinyl]benzenesulfonamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-N-methyl-3-[4-(3-methylbutanoyl)piperazin-1-yl]benzenesulfonamide Traditional Name: N-homoveratryl-3-(4-isovalerylpiperazino)-4-methoxy-N-methyl-benzenesulfonamide Formula: C27H39N3O6S MolecularWeight: 533.68006

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCN(CC1)C2=C(C=CC(=C2)S(=O)(=O)N(C)CCC3=CC(=C(C=C3)OC)OC)OC

Isomeric SMILES

CC(C)CC(=O)N1CCN(CC1)C2=C(C=CC(=C2)S(=O)(=O)N(C)CCC3=CC(=C(C=C3)OC)OC)OC

InChI

InChI=1S/C27H39N3O6S/c1-20(2)17-27(31)30-15-13-29(14-16-30)23-19-22(8-10-24(23)34-4)37(32,33)28(3)12-11-21-7-9-25(35-5)26(18-21)36-6/h7-10,18-20H,11-17H2,1-6H3