1-[2-[(4-chloranyl-3-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]cycloheptane-1-carboxylic acid

Systemtic Name: 1-[2-[(4-chloranyl-3-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]cycloheptane-1-carboxylic acid Openeye Name: 1-[2-(4-chloro-3-morpholinosulfonyl-anilino)-2-oxo-ethyl]cycloheptanecarboxylic acid CAS Name: 1-[2-[4-chloro-3-(4-morpholinylsulfonyl)anilino]-2-oxoethyl]-1-cycloheptanecarboxylic acid IUPAC Name: 1-[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]cycloheptane-1-carboxylic acid Traditional Name: 1-[2-(4-chloro-3-morpholinosulfonyl-anilino)-2-keto-ethyl]cycloheptanecarboxylic acid Formula: C20H27ClN2O6S MolecularWeight: 458.95618

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)(CC(=O)NC2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCOCC3)C(=O)O

Isomeric SMILES

C1CCCC(CC1)(CC(=O)NC2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCOCC3)C(=O)O

InChI

InChI=1S/C20H27ClN2O6S/c21-16-6-5-15(13-17(16)30(27,28)23-9-11-29-12-10-23)22-18(24)14-20(19(25)26)7-3-1-2-4-8-20/h5-6,13H,1-4,7-12,14H2,(H,22,24)(H,25,26)