[2-[2,5-dimethyl-1-(3-morpholin-4-ylsulfonylphenyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] (E)-but-2-enoate

Systemtic Name: [2-[2,5-dimethyl-1-(3-morpholin-4-ylsulfonylphenyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] (E)-but-2-enoate Openeye Name: [2-[2,5-dimethyl-1-(3-morpholinosulfonylphenyl)pyrrol-3-yl]-2-oxo-ethyl] (E)-but-2-enoate CAS Name: (E)-2-butenoic acid [2-[2,5-dimethyl-1-[3-(4-morpholinylsulfonyl)phenyl]-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[2,5-dimethyl-1-(3-morpholin-4-ylsulfonylphenyl)pyrrol-3-yl]-2-oxoethyl] (E)-but-2-enoate Traditional Name: (E)-but-2-enoic acid [2-[2,5-dimethyl-1-(3-morpholinosulfonylphenyl)pyrrol-3-yl]-2-keto-ethyl] ester Formula: C22H26N2O6S MolecularWeight: 446.51664

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC(=O)OCC(=O)C1=C(N(C(=C1)C)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)C

Isomeric SMILES

C/C=C/C(=O)OCC(=O)C1=C(N(C(=C1)C)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)C

InChI

InChI=1S/C22H26N2O6S/c1-4-6-22(26)30-15-21(25)20-13-16(2)24(17(20)3)18-7-5-8-19(14-18)31(27,28)23-9-11-29-12-10-23/h4-8,13-14H,9-12,15H2,1-3H3/b6-4+