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

Systemtic Name: 3-[4-(2-ethylhexanoyl)piperazin-1-yl]-4-methoxy-N-methyl-N-phenethyl-benzenesulfonamide Openeye Name: 3-[4-(2-ethylhexanoyl)piperazin-1-yl]-4-methoxy-N-methyl-N-phenethyl-benzenesulfonamide CAS Name: 3-[4-(2-ethyl-1-oxohexyl)-1-piperazinyl]-4-methoxy-N-methyl-N-phenethylbenzenesulfonamide IUPAC Name: 3-[4-(2-ethylhexanoyl)piperazin-1-yl]-4-methoxy-N-methyl-N-phenethylbenzenesulfonamide Traditional Name: 3-[4-(2-ethylhexanoyl)piperazino]-4-methoxy-N-methyl-N-phenethyl-benzenesulfonamide Formula: C28H41N3O4S MolecularWeight: 515.70784

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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=CC=C3)OC

Isomeric SMILES

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

InChI

InChI=1S/C28H41N3O4S/c1-5-7-13-24(6-2)28(32)31-20-18-30(19-21-31)26-22-25(14-15-27(26)35-4)36(33,34)29(3)17-16-23-11-9-8-10-12-23/h8-12,14-15,22,24H,5-7,13,16-21H2,1-4H3