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

Systemtic Name: methyl (E)-2-cyano-3-[2,5-dimethyl-1-(3-morpholin-4-ylsulfonylphenyl)pyrrol-3-yl]prop-2-enoate Openeye Name: methyl (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 methyl ester IUPAC Name: methyl (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 methyl ester Formula: C21H23N3O5S MolecularWeight: 429.48942

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O5S/c1-15-11-17(12-18(14-22)21(25)28-3)16(2)24(15)19-5-4-6-20(13-19)30(26,27)23-7-9-29-10-8-23/h4-6,11-13H,7-10H2,1-3H3/b18-12+