(3S,4S)-4-ethynyl-1-(4-methylphenyl)sulfonyl-3-prop-1-en-2-yl-piperidin-4-ol

Systemtic Name: (3S,4S)-4-ethynyl-1-(4-methylphenyl)sulfonyl-3-prop-1-en-2-yl-piperidin-4-ol Openeye Name: (3S,4S)-4-ethynyl-3-isopropenyl-1-(p-tolylsulfonyl)piperidin-4-ol CAS Name: (3S,4S)-4-ethynyl-3-(1-methylethenyl)-1-(4-methylphenyl)sulfonyl-4-piperidinol IUPAC Name: (3S,4S)-4-ethynyl-1-(4-methylphenyl)sulfonyl-3-prop-1-en-2-ylpiperidin-4-ol Traditional Name: (3S,4S)-4-ethynyl-3-isopropenyl-1-tosyl-piperidin-4-ol Formula: C17H21NO3S MolecularWeight: 319.41854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(C(C2)C(=C)C)(C#C)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[C@]([C@H](C2)C(=C)C)(C#C)O

InChI

InChI=1S/C17H21NO3S/c1-5-17(19)10-11-18(12-16(17)13(2)3)22(20,21)15-8-6-14(4)7-9-15/h1,6-9,16,19H,2,10-12H2,3-4H3/t16-,17+/m1/s1