butyl (E)-2-cyano-3-[2,5-dimethyl-1-(3-morpholin-4-ylsulfonylphenyl)pyrrol-3-yl]prop-2-enoate

Systemtic Name: butyl (E)-2-cyano-3-[2,5-dimethyl-1-(3-morpholin-4-ylsulfonylphenyl)pyrrol-3-yl]prop-2-enoate Openeye Name: butyl (E)-2-cyano-3-[2,5-dimethyl-1-(3-morpholinosulfonylphenyl)pyrrol-3-yl]prop-2-enoate CAS Name: (E)-2-cyano-3-[2,5-dimethyl-1-[3-(4-morpholinylsulfonyl)phenyl]-3-pyrrolyl]-2-propenoic acid butyl ester IUPAC Name: butyl (E)-2-cyano-3-[2,5-dimethyl-1-(3-morpholin-4-ylsulfonylphenyl)pyrrol-3-yl]prop-2-enoate Traditional Name: (E)-2-cyano-3-[2,5-dimethyl-1-(3-morpholinosulfonylphenyl)pyrrol-3-yl]acrylic acid butyl ester Formula: C24H29N3O5S MolecularWeight: 471.56916

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(=CC1=C(N(C(=C1)C)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)C)C#N

Isomeric SMILES

CCCCOC(=O)/C(=C/C1=C(N(C(=C1)C)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)C)/C#N

InChI

InChI=1S/C24H29N3O5S/c1-4-5-11-32-24(28)21(17-25)15-20-14-18(2)27(19(20)3)22-7-6-8-23(16-22)33(29,30)26-9-12-31-13-10-26/h6-8,14-16H,4-5,9-13H2,1-3H3/b21-15+