(3S,5S)-3,5-dimethyl-1-(3-methyl-4-propoxy-phenyl)sulfonyl-piperidine

Systemtic Name: (3S,5S)-3,5-dimethyl-1-(3-methyl-4-propoxy-phenyl)sulfonyl-piperidine Openeye Name: (3S,5S)-3,5-dimethyl-1-(3-methyl-4-propoxy-phenyl)sulfonyl-piperidine CAS Name: (3S,5S)-3,5-dimethyl-1-(3-methyl-4-propoxyphenyl)sulfonylpiperidine IUPAC Name: (3S,5S)-3,5-dimethyl-1-(3-methyl-4-propoxyphenyl)sulfonylpiperidine Traditional Name: (3S,5S)-3,5-dimethyl-1-(3-methyl-4-propoxy-phenyl)sulfonyl-piperidine Formula: C17H27NO3S MolecularWeight: 325.46618

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)S(=O)(=O)N2CC(CC(C2)C)C)C

Isomeric SMILES

CCCOC1=C(C=C(C=C1)S(=O)(=O)N2C[C@H](C[C@@H](C2)C)C)C

InChI

InChI=1S/C17H27NO3S/c1-5-8-21-17-7-6-16(10-15(17)4)22(19,20)18-11-13(2)9-14(3)12-18/h6-7,10,13-14H,5,8-9,11-12H2,1-4H3/t13-,14-/m0/s1