2-[4-[2,4-bis(methylsulfonyl)phenyl]piperazin-1-yl]-N-propyl-ethanamide

Systemtic Name: 2-[4-[2,4-bis(methylsulfonyl)phenyl]piperazin-1-yl]-N-propyl-ethanamide Openeye Name: 2-[4-[2,4-bis(methylsulfonyl)phenyl]piperazin-1-yl]-N-propyl-acetamide CAS Name: 2-[4-[2,4-bis(methylsulfonyl)phenyl]-1-piperazinyl]-N-propylacetamide IUPAC Name: 2-[4-[2,4-bis(methylsulfonyl)phenyl]piperazin-1-yl]-N-propylacetamide Traditional Name: 2-[4-(2,4-dimesylphenyl)piperazino]-N-propyl-acetamide Formula: C17H27N3O5S2 MolecularWeight: 417.54338

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CN1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)C)S(=O)(=O)C

Isomeric SMILES

CCCNC(=O)CN1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)C)S(=O)(=O)C

InChI

InChI=1S/C17H27N3O5S2/c1-4-7-18-17(21)13-19-8-10-20(11-9-19)15-6-5-14(26(2,22)23)12-16(15)27(3,24)25/h5-6,12H,4,7-11,13H2,1-3H3,(H,18,21)