methyl 2-[[4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-4-oxidanylidene-butanoyl]amino]ethanoate

Systemtic Name: methyl 2-[[4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-4-oxidanylidene-butanoyl]amino]ethanoate Openeye Name: methyl 2-[[4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-4-oxo-butanoyl]amino]acetate CAS Name: 2-[[4-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]-1,4-dioxobutyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-4-oxobutanoyl]amino]acetate Traditional Name: 2-[[4-[4-(2,5-dimethylphenyl)sulfonylpiperazino]-4-keto-butanoyl]amino]acetic acid methyl ester Formula: C19H27N3O6S MolecularWeight: 425.49918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)CCC(=O)NCC(=O)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)CCC(=O)NCC(=O)OC

InChI

InChI=1S/C19H27N3O6S/c1-14-4-5-15(2)16(12-14)29(26,27)22-10-8-21(9-11-22)18(24)7-6-17(23)20-13-19(25)28-3/h4-5,12H,6-11,13H2,1-3H3,(H,20,23)