ethyl 1-[(E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(E)-3-(4-morpholinosulfonylphenyl)prop-2-enoyl]piperidine-4-carboxylate CAS Name: 1-[(E)-3-[4-(4-morpholinylsulfonyl)phenyl]-1-oxoprop-2-enyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoyl]piperidine-4-carboxylate Traditional Name: 1-[(E)-3-(4-morpholinosulfonylphenyl)acryloyl]isonipecotic acid ethyl ester Formula: C21H28N2O6S MolecularWeight: 436.52182

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C=CC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)/C=C/C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C21H28N2O6S/c1-2-29-21(25)18-9-11-22(12-10-18)20(24)8-5-17-3-6-19(7-4-17)30(26,27)23-13-15-28-16-14-23/h3-8,18H,2,9-16H2,1H3/b8-5+