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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(2-ethylhexanoyl)piperazin-1-yl]-4-methoxy-N-methyl-benzenesulfonamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(2-ethylhexanoyl)piperazin-1-yl]-4-methoxy-N-methyl-benzenesulfonamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(2-ethyl-1-oxohexyl)-1-piperazinyl]-4-methoxy-N-methylbenzenesulfonamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(2-ethylhexanoyl)piperazin-1-yl]-4-methoxy-N-methylbenzenesulfonamide Traditional Name: 3-[4-(2-ethylhexanoyl)piperazino]-N-homoveratryl-4-methoxy-N-methyl-benzenesulfonamide Formula: C30H45N3O6S MolecularWeight: 575.7598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H45N3O6S/c1-7-9-10-24(8-2)30(34)33-19-17-32(18-20-33)26-22-25(12-14-27(26)37-4)40(35,36)31(3)16-15-23-11-13-28(38-5)29(21-23)39-6/h11-14,21-22,24H,7-10,15-20H2,1-6H3