1-[2-methyl-5-[(E)-3-oxidanidyl-3-oxidanylidene-prop-1-enyl]phenyl]sulfonylpiperidine-4-carboxylate

Systemtic Name: 1-[2-methyl-5-[(E)-3-oxidanidyl-3-oxidanylidene-prop-1-enyl]phenyl]sulfonylpiperidine-4-carboxylate Openeye Name: 1-[2-methyl-5-[(E)-3-oxido-3-oxo-prop-1-enyl]phenyl]sulfonylpiperidine-4-carboxylate CAS Name: 1-[2-methyl-5-[(E)-3-oxido-3-oxoprop-1-enyl]phenyl]sulfonyl-4-piperidinecarboxylate IUPAC Name: 1-[2-methyl-5-[(E)-3-oxido-3-oxoprop-1-enyl]phenyl]sulfonylpiperidine-4-carboxylate Traditional Name: 1-[5-[(E)-3-keto-3-oxido-prop-1-enyl]-2-methyl-phenyl]sulfonylisonipecotate Formula: C16H17NO6S-2 MolecularWeight: 351.37428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C=CC(=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)/C=C/C(=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)[O-]

InChI

InChI=1S/C16H19NO6S/c1-11-2-3-12(4-5-15(18)19)10-14(11)24(22,23)17-8-6-13(7-9-17)16(20)21/h2-5,10,13H,6-9H2,1H3,(H,18,19)(H,20,21)/p-2/b5-4+