2-ethyl-1-[(E)-2-phenylethenyl]sulfonyl-piperidine-4-carboxylate

Systemtic Name: 2-ethyl-1-[(E)-2-phenylethenyl]sulfonyl-piperidine-4-carboxylate Openeye Name: 2-ethyl-1-[(E)-styryl]sulfonyl-piperidine-4-carboxylate CAS Name: 2-ethyl-1-[(E)-2-phenylethenyl]sulfonyl-4-piperidinecarboxylate IUPAC Name: 2-ethyl-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxylate Traditional Name: 2-ethyl-1-[(E)-styryl]sulfonyl-isonipecotate Formula: C16H20NO4S- MolecularWeight: 322.3993

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CC(CCN1S(=O)(=O)C=CC2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

CCC1CC(CCN1S(=O)(=O)/C=C/C2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C16H21NO4S/c1-2-15-12-14(16(18)19)8-10-17(15)22(20,21)11-9-13-6-4-3-5-7-13/h3-7,9,11,14-15H,2,8,10,12H2,1H3,(H,18,19)/p-1/b11-9+