1-[5-methoxy-1-(4-methylphenyl)sulfonyl-pyrrolidin-2-yl]-2-phenylsulfanyl-prop-2-en-1-ol

Systemtic Name: 1-[5-methoxy-1-(4-methylphenyl)sulfonyl-pyrrolidin-2-yl]-2-phenylsulfanyl-prop-2-en-1-ol Openeye Name: 1-[5-methoxy-1-(p-tolylsulfonyl)pyrrolidin-2-yl]-2-phenylsulfanyl-prop-2-en-1-ol CAS Name: 1-[5-methoxy-1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]-2-(phenylthio)-2-propen-1-ol IUPAC Name: 1-[5-methoxy-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-2-phenylsulfanylprop-2-en-1-ol Traditional Name: 1-(5-methoxy-1-tosyl-pyrrolidin-2-yl)-2-(phenylthio)prop-2-en-1-ol Formula: C21H25NO4S2 MolecularWeight: 419.5575

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C(CCC2OC)C(C(=C)SC3=CC=CC=C3)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C(CCC2OC)C(C(=C)SC3=CC=CC=C3)O

InChI

InChI=1S/C21H25NO4S2/c1-15-9-11-18(12-10-15)28(24,25)22-19(13-14-20(22)26-3)21(23)16(2)27-17-7-5-4-6-8-17/h4-12,19-21,23H,2,13-14H2,1,3H3