[2-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 2-[methyl(methylsulfonyl)amino]benzoate

Systemtic Name: [2-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 2-[methyl(methylsulfonyl)amino]benzoate Openeye Name: [2-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-oxo-ethyl] 2-[methyl(methylsulfonyl)amino]benzoate CAS Name: 2-[methyl(methylsulfonyl)amino]benzoic acid [2-(2,5-dimethyl-1-phenethyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethyl-1-phenethylpyrrol-3-yl)-2-oxoethyl] 2-[methyl(methylsulfonyl)amino]benzoate Traditional Name: 2-[mesyl(methyl)amino]benzoic acid [2-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C25H28N2O5S MolecularWeight: 468.56522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC2=CC=CC=C2)C)C(=O)COC(=O)C3=CC=CC=C3N(C)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=C(N1CCC2=CC=CC=C2)C)C(=O)COC(=O)C3=CC=CC=C3N(C)S(=O)(=O)C

InChI

InChI=1S/C25H28N2O5S/c1-18-16-22(19(2)27(18)15-14-20-10-6-5-7-11-20)24(28)17-32-25(29)21-12-8-9-13-23(21)26(3)33(4,30)31/h5-13,16H,14-15,17H2,1-4H3