[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] (E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] (E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] (E)-3-(4-morpholinosulfonylphenyl)prop-2-enoate CAS Name: (E)-3-[4-(4-morpholinylsulfonyl)phenyl]-2-propenoic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] (E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate Traditional Name: (E)-3-(4-morpholinosulfonylphenyl)acrylic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C19H21N3O6S MolecularWeight: 419.45154

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)COC(=O)C=CC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)COC(=O)/C=C/C1=CC=C(C=C1)S(=O)(=O)N2CCOCC2)/N

InChI

InChI=1S/C19H21N3O6S/c1-14(21)17(12-20)18(23)13-28-19(24)7-4-15-2-5-16(6-3-15)29(25,26)22-8-10-27-11-9-22/h2-7H,8-11,13,21H2,1H3/b7-4+,17-14+