methyl 4-[2,5-dimethyl-3-[2-(6-methylsulfonylbenzotriazol-1-yl)oxyethanoyl]pyrrol-1-yl]benzoate

Systemtic Name: methyl 4-[2,5-dimethyl-3-[2-(6-methylsulfonylbenzotriazol-1-yl)oxyethanoyl]pyrrol-1-yl]benzoate Openeye Name: methyl 4-[2,5-dimethyl-3-[2-(6-methylsulfonylbenzotriazol-1-yl)oxyacetyl]pyrrol-1-yl]benzoate CAS Name: 4-[2,5-dimethyl-3-[2-[(6-methylsulfonyl-1-benzotriazolyl)oxy]-1-oxoethyl]-1-pyrrolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2,5-dimethyl-3-[2-(6-methylsulfonylbenzotriazol-1-yl)oxyacetyl]pyrrol-1-yl]benzoate Traditional Name: 4-[3-[2-(6-mesylbenzotriazol-1-yl)oxyacetyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid methyl ester Formula: C23H22N4O6S MolecularWeight: 482.50898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)OC)C)C(=O)CON3C4=C(C=CC(=C4)S(=O)(=O)C)N=N3

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)OC)C)C(=O)CON3C4=C(C=CC(=C4)S(=O)(=O)C)N=N3

InChI

InChI=1S/C23H22N4O6S/c1-14-11-19(15(2)26(14)17-7-5-16(6-8-17)23(29)32-3)22(28)13-33-27-21-12-18(34(4,30)31)9-10-20(21)24-25-27/h5-12H,13H2,1-4H3