(3S,5S)-1-(4-butoxy-3-tert-butyl-phenyl)sulfonyl-3,5-dimethyl-piperidine

Systemtic Name: (3S,5S)-1-(4-butoxy-3-tert-butyl-phenyl)sulfonyl-3,5-dimethyl-piperidine Openeye Name: (3S,5S)-1-(4-butoxy-3-tert-butyl-phenyl)sulfonyl-3,5-dimethyl-piperidine CAS Name: (3S,5S)-1-(4-butoxy-3-tert-butylphenyl)sulfonyl-3,5-dimethylpiperidine IUPAC Name: (3S,5S)-1-(4-butoxy-3-tert-butylphenyl)sulfonyl-3,5-dimethylpiperidine Traditional Name: (3S,5S)-1-(4-butoxy-3-tert-butyl-phenyl)sulfonyl-3,5-dimethyl-piperidine Formula: C21H35NO3S MolecularWeight: 381.5725

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)S(=O)(=O)N2CC(CC(C2)C)C)C(C)(C)C

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)S(=O)(=O)N2C[C@H](C[C@@H](C2)C)C)C(C)(C)C

InChI

InChI=1S/C21H35NO3S/c1-7-8-11-25-20-10-9-18(13-19(20)21(4,5)6)26(23,24)22-14-16(2)12-17(3)15-22/h9-10,13,16-17H,7-8,11-12,14-15H2,1-6H3/t16-,17-/m0/s1