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

Systemtic Name: ethyl 1-[(E)-3-(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)prop-2-enoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[(E)-3-(4-methoxy-3-morpholinosulfonyl-phenyl)prop-2-enoyl]piperidine-3-carboxylate CAS Name: 1-[(E)-3-[4-methoxy-3-(4-morpholinylsulfonyl)phenyl]-1-oxoprop-2-enyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(E)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enoyl]piperidine-3-carboxylate Traditional Name: 1-[(E)-3-(4-methoxy-3-morpholinosulfonyl-phenyl)acryloyl]nipecotic acid ethyl ester Formula: C22H30N2O7S MolecularWeight: 466.5478

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C=CC2=CC(=C(C=C2)OC)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)/C=C/C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C22H30N2O7S/c1-3-31-22(26)18-5-4-10-23(16-18)21(25)9-7-17-6-8-19(29-2)20(15-17)32(27,28)24-11-13-30-14-12-24/h6-9,15,18H,3-5,10-14,16H2,1-2H3/b9-7+