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

Systemtic Name: methyl (E)-2-cyano-3-[2,5-dimethyl-1-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-yl-phenyl)pyrrol-3-yl]prop-2-enoate Openeye Name: methyl (E)-2-cyano-3-[2,5-dimethyl-1-(5-morpholinosulfonyl-2-pyrrolidin-1-yl-phenyl)pyrrol-3-yl]prop-2-enoate CAS Name: (E)-2-cyano-3-[2,5-dimethyl-1-[5-(4-morpholinylsulfonyl)-2-(1-pyrrolidinyl)phenyl]-3-pyrrolyl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-2-cyano-3-[2,5-dimethyl-1-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)pyrrol-3-yl]prop-2-enoate Traditional Name: (E)-2-cyano-3-[2,5-dimethyl-1-(5-morpholinosulfonyl-2-pyrrolidino-phenyl)pyrrol-3-yl]acrylic acid methyl ester Formula: C25H30N4O5S MolecularWeight: 498.5945

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C25H30N4O5S/c1-18-14-20(15-21(17-26)25(30)33-3)19(2)29(18)24-16-22(6-7-23(24)27-8-4-5-9-27)35(31,32)28-10-12-34-13-11-28/h6-7,14-16H,4-5,8-13H2,1-3H3/b21-15+