N-tert-butyl-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]propanamide

Systemtic Name: N-tert-butyl-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]propanamide Openeye Name: N-tert-butyl-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]propanamide CAS Name: N-tert-butyl-2-[4-(2,3,5,6-tetramethylphenyl)sulfonyl-1-piperazinyl]propanamide IUPAC Name: N-tert-butyl-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]propanamide Traditional Name: N-tert-butyl-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazino]propionamide Formula: C21H35N3O3S MolecularWeight: 409.5859

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCN(CC2)C(C)C(=O)NC(C)(C)C)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCN(CC2)C(C)C(=O)NC(C)(C)C)C)C

InChI

InChI=1S/C21H35N3O3S/c1-14-13-15(2)17(4)19(16(14)3)28(26,27)24-11-9-23(10-12-24)18(5)20(25)22-21(6,7)8/h13,18H,9-12H2,1-8H3,(H,22,25)