3-[2-[4-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylpiperazin-1-yl]ethylsulfonyl]propanamide

Systemtic Name: 3-[2-[4-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylpiperazin-1-yl]ethylsulfonyl]propanamide Openeye Name: 3-[2-[4-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylpiperazin-1-yl]ethylsulfonyl]propanamide CAS Name: 3-[2-[4-(4-tert-butyl-2,6-dimethylphenyl)sulfonyl-1-piperazinyl]ethylsulfonyl]propanamide IUPAC Name: 3-[2-[4-(4-tert-butyl-2,6-dimethylphenyl)sulfonylpiperazin-1-yl]ethylsulfonyl]propanamide Traditional Name: 3-[2-[4-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylpiperazino]ethylsulfonyl]propionamide Formula: C21H35N3O5S2 MolecularWeight: 473.6497

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1S(=O)(=O)N2CCN(CC2)CCS(=O)(=O)CCC(=O)N)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1S(=O)(=O)N2CCN(CC2)CCS(=O)(=O)CCC(=O)N)C)C(C)(C)C

InChI

InChI=1S/C21H35N3O5S2/c1-16-14-18(21(3,4)5)15-17(2)20(16)31(28,29)24-9-7-23(8-10-24)11-13-30(26,27)12-6-19(22)25/h14-15H,6-13H2,1-5H3,(H2,22,25)