phenoxysulfonyl (2E)-2-(5,5-dimethyl-3-pyrrolidin-1-yl-cyclohex-2-en-1-ylidene)ethanoate

Systemtic Name: phenoxysulfonyl (2E)-2-(5,5-dimethyl-3-pyrrolidin-1-yl-cyclohex-2-en-1-ylidene)ethanoate Openeye Name: phenoxysulfonyl (2E)-2-(5,5-dimethyl-3-pyrrolidin-1-yl-cyclohex-2-en-1-ylidene)acetate CAS Name: (2E)-2-[5,5-dimethyl-3-(1-pyrrolidinyl)-1-cyclohex-2-enylidene]acetic acid phenoxysulfonyl ester IUPAC Name: phenoxysulfonyl (2E)-2-(5,5-dimethyl-3-pyrrolidin-1-ylcyclohex-2-en-1-ylidene)acetate Traditional Name: (2E)-2-(5,5-dimethyl-3-pyrrolidino-cyclohex-2-en-1-ylidene)acetic acid phenoxysulfonyl ester Formula: C20H25NO5S MolecularWeight: 391.4812

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=CC(=CC(=O)OS(=O)(=O)OC2=CC=CC=C2)C1)N3CCCC3)C

Isomeric SMILES

CC1(CC(=C/C(=C/C(=O)OS(=O)(=O)OC2=CC=CC=C2)/C1)N3CCCC3)C

InChI

InChI=1S/C20H25NO5S/c1-20(2)14-16(12-17(15-20)21-10-6-7-11-21)13-19(22)26-27(23,24)25-18-8-4-3-5-9-18/h3-5,8-9,12-13H,6-7,10-11,14-15H2,1-2H3/b16-13-