(2-oxidanylidene-1,2-diphenyl-ethyl) 4-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)sulfonyl-ethyl-amino]-4-oxidanylidene-butanoate

Systemtic Name: (2-oxidanylidene-1,2-diphenyl-ethyl) 4-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)sulfonyl-ethyl-amino]-4-oxidanylidene-butanoate Openeye Name: (2-oxo-1,2-diphenyl-ethyl) 4-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)sulfonyl-ethyl-amino]-4-oxo-butanoate CAS Name: 4-[(5-chloro-1,3-dimethyl-4-pyrazolyl)sulfonyl-ethylamino]-4-oxobutanoic acid (2-oxo-1,2-diphenylethyl) ester IUPAC Name: (2-oxo-1,2-diphenylethyl) 4-[(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-ethylamino]-4-oxobutanoate Traditional Name: 4-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)sulfonyl-ethyl-amino]-4-keto-butyric acid desyl ester Formula: C25H26ClN3O6S MolecularWeight: 532.00844

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C(=O)CCC(=O)OC(C1=CC=CC=C1)C(=O)C2=CC=CC=C2)S(=O)(=O)C3=C(N(N=C3C)C)Cl

Isomeric SMILES

CCN(C(=O)CCC(=O)OC(C1=CC=CC=C1)C(=O)C2=CC=CC=C2)S(=O)(=O)C3=C(N(N=C3C)C)Cl

InChI

InChI=1S/C25H26ClN3O6S/c1-4-29(36(33,34)24-17(2)27-28(3)25(24)26)20(30)15-16-21(31)35-23(19-13-9-6-10-14-19)22(32)18-11-7-5-8-12-18/h5-14,23H,4,15-16H2,1-3H3