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

Systemtic Name: 1-[2-oxidanylidene-2-[(3-piperidin-1-ylsulfonylphenyl)amino]ethyl]cycloheptane-1-carboxylic acid Openeye Name: 1-[2-oxo-2-[3-(1-piperidylsulfonyl)anilino]ethyl]cycloheptanecarboxylic acid CAS Name: 1-[2-oxo-2-[3-(1-piperidinylsulfonyl)anilino]ethyl]-1-cycloheptanecarboxylic acid IUPAC Name: 1-[2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl]cycloheptane-1-carboxylic acid Traditional Name: 1-[2-keto-2-(3-piperidinosulfonylanilino)ethyl]cycloheptanecarboxylic acid Formula: C21H30N2O5S MolecularWeight: 422.5383

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)(CC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCC3)C(=O)O

Isomeric SMILES

C1CCCC(CC1)(CC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCC3)C(=O)O

InChI

InChI=1S/C21H30N2O5S/c24-19(16-21(20(25)26)11-4-1-2-5-12-21)22-17-9-8-10-18(15-17)29(27,28)23-13-6-3-7-14-23/h8-10,15H,1-7,11-14,16H2,(H,22,24)(H,25,26)