[2-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxylate

Systemtic Name: [2-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxylate Openeye Name: [2-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-oxo-ethyl] 4-morpholinosulfonyl-1H-pyrrole-2-carboxylate CAS Name: 4-(4-morpholinylsulfonyl)-1H-pyrrole-2-carboxylic acid [2-(2,5-dimethyl-1-phenethyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethyl-1-phenethylpyrrol-3-yl)-2-oxoethyl] 4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxylate Traditional Name: 4-morpholinosulfonyl-1H-pyrrole-2-carboxylic acid [2-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C25H29N3O6S MolecularWeight: 499.57926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC2=CC=CC=C2)C)C(=O)COC(=O)C3=CC(=CN3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CC1=CC(=C(N1CCC2=CC=CC=C2)C)C(=O)COC(=O)C3=CC(=CN3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C25H29N3O6S/c1-18-14-22(19(2)28(18)9-8-20-6-4-3-5-7-20)24(29)17-34-25(30)23-15-21(16-26-23)35(31,32)27-10-12-33-13-11-27/h3-7,14-16,26H,8-13,17H2,1-2H3