4-[4-[2-(4-butylphenyl)ethanoyl]piperazin-1-yl]sulfonylbenzenesulfonamide

Systemtic Name: 4-[4-[2-(4-butylphenyl)ethanoyl]piperazin-1-yl]sulfonylbenzenesulfonamide Openeye Name: 4-[4-[2-(4-butylphenyl)acetyl]piperazin-1-yl]sulfonylbenzenesulfonamide CAS Name: 4-[[4-[2-(4-butylphenyl)-1-oxoethyl]-1-piperazinyl]sulfonyl]benzenesulfonamide IUPAC Name: 4-[4-[2-(4-butylphenyl)acetyl]piperazin-1-yl]sulfonylbenzenesulfonamide Traditional Name: 4-[4-[2-(4-butylphenyl)acetyl]piperazino]sulfonylbenzenesulfonamide Formula: C22H29N3O5S2 MolecularWeight: 479.61276

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CCCCC1=CC=C(C=C1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C22H29N3O5S2/c1-2-3-4-18-5-7-19(8-6-18)17-22(26)24-13-15-25(16-14-24)32(29,30)21-11-9-20(10-12-21)31(23,27)28/h5-12H,2-4,13-17H2,1H3,(H2,23,27,28)