1-[3-[(E)-3-[4-(3-methylbutoxy)phenyl]prop-2-enoyl]phenyl]sulfonylpiperidine-4-carboxylate

Systemtic Name: 1-[3-[(E)-3-[4-(3-methylbutoxy)phenyl]prop-2-enoyl]phenyl]sulfonylpiperidine-4-carboxylate Openeye Name: 1-[3-[(E)-3-(4-isopentyloxyphenyl)prop-2-enoyl]phenyl]sulfonylpiperidine-4-carboxylate CAS Name: 1-[3-[(E)-3-[4-(3-methylbutoxy)phenyl]-1-oxoprop-2-enyl]phenyl]sulfonyl-4-piperidinecarboxylate IUPAC Name: 1-[3-[(E)-3-[4-(3-methylbutoxy)phenyl]prop-2-enoyl]phenyl]sulfonylpiperidine-4-carboxylate Traditional Name: 1-[3-[(E)-3-(4-isoamoxyphenyl)acryloyl]phenyl]sulfonylisonipecotate Formula: C26H30NO6S- MolecularWeight: 484.5845

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=C(C=C1)C=CC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCC(CC3)C(=O)[O-]

Isomeric SMILES

CC(C)CCOC1=CC=C(C=C1)/C=C/C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCC(CC3)C(=O)[O-]

InChI

InChI=1S/C26H31NO6S/c1-19(2)14-17-33-23-9-6-20(7-10-23)8-11-25(28)22-4-3-5-24(18-22)34(31,32)27-15-12-21(13-16-27)26(29)30/h3-11,18-19,21H,12-17H2,1-2H3,(H,29,30)/p-1/b11-8+