ethyl 4-oxidanylidene-4-[2-(4-pyrrolidin-1-ylsulfonylphenyl)carbonylhydrazinyl]butanoate

Systemtic Name: ethyl 4-oxidanylidene-4-[2-(4-pyrrolidin-1-ylsulfonylphenyl)carbonylhydrazinyl]butanoate Openeye Name: ethyl 4-oxo-4-[2-(4-pyrrolidin-1-ylsulfonylbenzoyl)hydrazino]butanoate CAS Name: 4-oxo-4-[[oxo-[4-(1-pyrrolidinylsulfonyl)phenyl]methyl]hydrazo]butanoic acid ethyl ester IUPAC Name: ethyl 4-oxo-4-[2-(4-pyrrolidin-1-ylsulfonylbenzoyl)hydrazinyl]butanoate Traditional Name: 4-keto-4-[N'-(4-pyrrolidinosulfonylbenzoyl)hydrazino]butyric acid ethyl ester Formula: C17H23N3O6S MolecularWeight: 397.44602

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)NNC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCC2

Isomeric SMILES

CCOC(=O)CCC(=O)NNC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCC2

InChI

InChI=1S/C17H23N3O6S/c1-2-26-16(22)10-9-15(21)18-19-17(23)13-5-7-14(8-6-13)27(24,25)20-11-3-4-12-20/h5-8H,2-4,9-12H2,1H3,(H,18,21)(H,19,23)