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

Systemtic Name: [2-[2,5-dimethyl-1-(3-morpholin-4-ylsulfonylphenyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 2-oxidanylbenzoate Openeye Name: [2-[2,5-dimethyl-1-(3-morpholinosulfonylphenyl)pyrrol-3-yl]-2-oxo-ethyl] 2-hydroxybenzoate CAS Name: 2-hydroxybenzoic 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] 2-hydroxybenzoate Traditional Name: 2-hydroxybenzoic acid [2-[2,5-dimethyl-1-(3-morpholinosulfonylphenyl)pyrrol-3-yl]-2-keto-ethyl] ester Formula: C25H26N2O7S MolecularWeight: 498.54814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)C)C(=O)COC(=O)C4=CC=CC=C4O

Isomeric SMILES

CC1=CC(=C(N1C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)C)C(=O)COC(=O)C4=CC=CC=C4O

InChI

InChI=1S/C25H26N2O7S/c1-17-14-22(24(29)16-34-25(30)21-8-3-4-9-23(21)28)18(2)27(17)19-6-5-7-20(15-19)35(31,32)26-10-12-33-13-11-26/h3-9,14-15,28H,10-13,16H2,1-2H3