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

Systemtic Name: 1-[2-oxidanylidene-2-[(3-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl]cycloheptane-1-carboxylic acid Openeye Name: 1-[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl]cycloheptanecarboxylic acid CAS Name: 1-[2-oxo-2-[3-(1-pyrrolidinylsulfonyl)anilino]ethyl]-1-cycloheptanecarboxylic acid IUPAC Name: 1-[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl]cycloheptane-1-carboxylic acid Traditional Name: 1-[2-keto-2-(3-pyrrolidinosulfonylanilino)ethyl]cycloheptanecarboxylic acid Formula: C20H28N2O5S MolecularWeight: 408.51172

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)(CC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3)C(=O)O

Isomeric SMILES

C1CCCC(CC1)(CC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3)C(=O)O

InChI

InChI=1S/C20H28N2O5S/c23-18(15-20(19(24)25)10-3-1-2-4-11-20)21-16-8-7-9-17(14-16)28(26,27)22-12-5-6-13-22/h7-9,14H,1-6,10-13,15H2,(H,21,23)(H,24,25)