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

Systemtic Name: (2S)-2-[4-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylpiperazin-1-yl]propanamide Openeye Name: (2S)-2-[4-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylpiperazin-1-yl]propanamide CAS Name: (2S)-2-[4-(4-tert-butyl-2,6-dimethylphenyl)sulfonyl-1-piperazinyl]propanamide IUPAC Name: (2S)-2-[4-(4-tert-butyl-2,6-dimethylphenyl)sulfonylpiperazin-1-yl]propanamide Traditional Name: (2S)-2-[4-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylpiperazino]propionamide Formula: C19H31N3O3S MolecularWeight: 381.53274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC(=CC(=C1S(=O)(=O)N2CCN(CC2)[C@@H](C)C(=O)N)C)C(C)(C)C

InChI

InChI=1S/C19H31N3O3S/c1-13-11-16(19(4,5)6)12-14(2)17(13)26(24,25)22-9-7-21(8-10-22)15(3)18(20)23/h11-12,15H,7-10H2,1-6H3,(H2,20,23)/t15-/m0/s1