1-[2-oxidanylidene-2-[2-(3-pyrrolidin-1-ylsulfonylphenyl)carbonylhydrazinyl]ethyl]cycloheptane-1-carboxylic acid

Systemtic Name: 1-[2-oxidanylidene-2-[2-(3-pyrrolidin-1-ylsulfonylphenyl)carbonylhydrazinyl]ethyl]cycloheptane-1-carboxylic acid Openeye Name: 1-[2-oxo-2-[2-(3-pyrrolidin-1-ylsulfonylbenzoyl)hydrazino]ethyl]cycloheptanecarboxylic acid CAS Name: 1-[2-oxo-2-[[oxo-[3-(1-pyrrolidinylsulfonyl)phenyl]methyl]hydrazo]ethyl]-1-cycloheptanecarboxylic acid IUPAC Name: 1-[2-oxo-2-[2-(3-pyrrolidin-1-ylsulfonylbenzoyl)hydrazinyl]ethyl]cycloheptane-1-carboxylic acid Traditional Name: 1-[2-keto-2-[N'-(3-pyrrolidinosulfonylbenzoyl)hydrazino]ethyl]cycloheptanecarboxylic acid Formula: C21H29N3O6S MolecularWeight: 451.53646

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)(CC(=O)NNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3)C(=O)O

Isomeric SMILES

C1CCCC(CC1)(CC(=O)NNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3)C(=O)O

InChI

InChI=1S/C21H29N3O6S/c25-18(15-21(20(27)28)10-3-1-2-4-11-21)22-23-19(26)16-8-7-9-17(14-16)31(29,30)24-12-5-6-13-24/h7-9,14H,1-6,10-13,15H2,(H,22,25)(H,23,26)(H,27,28)