(3R)-1-(4-but-2-ynoxyphenyl)sulfonylpyrrolidine-3-thiol

Systemtic Name: (3R)-1-(4-but-2-ynoxyphenyl)sulfonylpyrrolidine-3-thiol Openeye Name: (3R)-1-(4-but-2-ynoxyphenyl)sulfonylpyrrolidine-3-thiol CAS Name: (3R)-1-(4-but-2-ynoxyphenyl)sulfonyl-3-pyrrolidinethiol IUPAC Name: (3R)-1-(4-but-2-ynoxyphenyl)sulfonylpyrrolidine-3-thiol Traditional Name: (3R)-1-(4-but-2-ynoxyphenyl)sulfonylpyrrolidine-3-thiol Formula: C14H17NO3S2 MolecularWeight: 311.41968

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(C2)S

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CC[C@H](C2)S

InChI

InChI=1S/C14H17NO3S2/c1-2-3-10-18-12-4-6-14(7-5-12)20(16,17)15-9-8-13(19)11-15/h4-7,13,19H,8-11H2,1H3/t13-/m1/s1