1-[2-[(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]cycloheptane-1-carboxylic acid

Systemtic Name: 1-[2-[(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]cycloheptane-1-carboxylic acid Openeye Name: 1-[2-(2-chloro-5-pyrrolidin-1-ylsulfonyl-anilino)-2-oxo-ethyl]cycloheptanecarboxylic acid CAS Name: 1-[2-[2-chloro-5-(1-pyrrolidinylsulfonyl)anilino]-2-oxoethyl]-1-cycloheptanecarboxylic acid IUPAC Name: 1-[2-(2-chloro-5-pyrrolidin-1-ylsulfonylanilino)-2-oxoethyl]cycloheptane-1-carboxylic acid Traditional Name: 1-[2-(2-chloro-5-pyrrolidinosulfonyl-anilino)-2-keto-ethyl]cycloheptanecarboxylic acid Formula: C20H27ClN2O5S MolecularWeight: 442.95678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27ClN2O5S/c21-16-8-7-15(29(27,28)23-11-5-6-12-23)13-17(16)22-18(24)14-20(19(25)26)9-3-1-2-4-10-20/h7-8,13H,1-6,9-12,14H2,(H,22,24)(H,25,26)