ethyl 1-[4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-4-oxidanylidene-butanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-4-oxidanylidene-butanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-4-oxo-butanoyl]piperidine-4-carboxylate CAS Name: 1-[4-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]-1,4-dioxobutyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-4-oxobutanoyl]piperidine-4-carboxylate Traditional Name: 1-[4-[4-(2,5-dimethylphenyl)sulfonylpiperazino]-4-keto-butanoyl]isonipecotic acid ethyl ester Formula: C24H35N3O6S MolecularWeight: 493.6162

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)C)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)C)C

InChI

InChI=1S/C24H35N3O6S/c1-4-33-24(30)20-9-11-25(12-10-20)22(28)7-8-23(29)26-13-15-27(16-14-26)34(31,32)21-17-18(2)5-6-19(21)3/h5-6,17,20H,4,7-16H2,1-3H3