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

Systemtic Name: (4-bromophenyl) 1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxylate Openeye Name: (4-bromophenyl) 1-[(E)-styryl]sulfonylpiperidine-4-carboxylate CAS Name: 1-[(E)-2-phenylethenyl]sulfonyl-4-piperidinecarboxylic acid (4-bromophenyl) ester IUPAC Name: (4-bromophenyl) 1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxylate Traditional Name: 1-[(E)-styryl]sulfonylisonipecotic acid (4-bromophenyl) ester Formula: C20H20BrNO4S MolecularWeight: 450.3461

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OC2=CC=C(C=C2)Br)S(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1C(=O)OC2=CC=C(C=C2)Br)S(=O)(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C20H20BrNO4S/c21-18-6-8-19(9-7-18)26-20(23)17-10-13-22(14-11-17)27(24,25)15-12-16-4-2-1-3-5-16/h1-9,12,15,17H,10-11,13-14H2/b15-12+