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

Systemtic Name: (E)-2-cyano-3-[2,5-dimethyl-1-(3-morpholin-4-ylsulfonylphenyl)pyrrol-3-yl]prop-2-enoic acid Openeye Name: (E)-2-cyano-3-[2,5-dimethyl-1-(3-morpholinosulfonylphenyl)pyrrol-3-yl]prop-2-enoic acid CAS Name: (E)-2-cyano-3-[2,5-dimethyl-1-[3-(4-morpholinylsulfonyl)phenyl]-3-pyrrolyl]-2-propenoic acid IUPAC Name: (E)-2-cyano-3-[2,5-dimethyl-1-(3-morpholin-4-ylsulfonylphenyl)pyrrol-3-yl]prop-2-enoic acid Traditional Name: (E)-2-cyano-3-[2,5-dimethyl-1-(3-morpholinosulfonylphenyl)pyrrol-3-yl]acrylic acid Formula: C20H21N3O5S MolecularWeight: 415.46284

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O5S/c1-14-10-16(11-17(13-21)20(24)25)15(2)23(14)18-4-3-5-19(12-18)29(26,27)22-6-8-28-9-7-22/h3-5,10-12H,6-9H2,1-2H3,(H,24,25)/b17-11+