1-[2-oxidanylidene-2-[(4-piperidin-1-ylsulfonylphenyl)amino]ethyl]cycloheptane-1-carboxylic acid

Systemtic Name: 1-[2-oxidanylidene-2-[(4-piperidin-1-ylsulfonylphenyl)amino]ethyl]cycloheptane-1-carboxylic acid Openeye Name: 1-[2-oxo-2-[4-(1-piperidylsulfonyl)anilino]ethyl]cycloheptanecarboxylic acid CAS Name: 1-[2-oxo-2-[4-(1-piperidinylsulfonyl)anilino]ethyl]-1-cycloheptanecarboxylic acid IUPAC Name: 1-[2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl]cycloheptane-1-carboxylic acid Traditional Name: 1-[2-keto-2-(4-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=C(C=C2)S(=O)(=O)N3CCCCC3)C(=O)O

Isomeric SMILES

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

InChI

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