(E)-2-cyano-3-[2,5-dimethyl-1-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-yl-phenyl)pyrrol-3-yl]prop-2-enoic acid

Systemtic Name: (E)-2-cyano-3-[2,5-dimethyl-1-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-yl-phenyl)pyrrol-3-yl]prop-2-enoic acid Openeye Name: (E)-2-cyano-3-[2,5-dimethyl-1-(5-morpholinosulfonyl-2-pyrrolidin-1-yl-phenyl)pyrrol-3-yl]prop-2-enoic acid CAS Name: (E)-2-cyano-3-[2,5-dimethyl-1-[5-(4-morpholinylsulfonyl)-2-(1-pyrrolidinyl)phenyl]-3-pyrrolyl]-2-propenoic acid IUPAC Name: (E)-2-cyano-3-[2,5-dimethyl-1-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)pyrrol-3-yl]prop-2-enoic acid Traditional Name: (E)-2-cyano-3-[2,5-dimethyl-1-(5-morpholinosulfonyl-2-pyrrolidino-phenyl)pyrrol-3-yl]acrylic acid Formula: C24H28N4O5S MolecularWeight: 484.56792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCCC4)C)C=C(C#N)C(=O)O

Isomeric SMILES

CC1=CC(=C(N1C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCCC4)C)/C=C(\C#N)/C(=O)O

InChI

InChI=1S/C24H28N4O5S/c1-17-13-19(14-20(16-25)24(29)30)18(2)28(17)23-15-21(5-6-22(23)26-7-3-4-8-26)34(31,32)27-9-11-33-12-10-27/h5-6,13-15H,3-4,7-12H2,1-2H3,(H,29,30)/b20-14+