cyclohexylmethyl 1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxylate

Systemtic Name: cyclohexylmethyl 1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxylate Openeye Name: cyclohexylmethyl 1-[(E)-styryl]sulfonylpiperidine-4-carboxylate CAS Name: 1-[(E)-2-phenylethenyl]sulfonyl-4-piperidinecarboxylic acid cyclohexylmethyl ester IUPAC Name: cyclohexylmethyl 1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxylate Traditional Name: 1-[(E)-styryl]sulfonylisonipecotic acid cyclohexylmethyl ester Formula: C21H29NO4S MolecularWeight: 391.52426

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)COC(=O)C2CCN(CC2)S(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

C1CCC(CC1)COC(=O)C2CCN(CC2)S(=O)(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C21H29NO4S/c23-21(26-17-19-9-5-2-6-10-19)20-11-14-22(15-12-20)27(24,25)16-13-18-7-3-1-4-8-18/h1,3-4,7-8,13,16,19-20H,2,5-6,9-12,14-15,17H2/b16-13+