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

Systemtic Name: propan-2-yl (E)-2-cyano-3-[2,5-dimethyl-1-(3-morpholin-4-ylsulfonylphenyl)pyrrol-3-yl]prop-2-enoate Openeye Name: isopropyl (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 propan-2-yl ester IUPAC Name: propan-2-yl (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 isopropyl ester Formula: C23H27N3O5S MolecularWeight: 457.54258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O5S/c1-16(2)31-23(27)20(15-24)13-19-12-17(3)26(18(19)4)21-6-5-7-22(14-21)32(28,29)25-8-10-30-11-9-25/h5-7,12-14,16H,8-11H2,1-4H3/b20-13+