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

Systemtic Name: 1-[2-[(4-chloranyl-3-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]cycloheptane-1-carboxylic acid Openeye Name: 1-[2-[4-chloro-3-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl]cycloheptanecarboxylic acid CAS Name: 1-[2-[4-chloro-3-(1-piperidinylsulfonyl)anilino]-2-oxoethyl]-1-cycloheptanecarboxylic acid IUPAC Name: 1-[2-(4-chloro-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl]cycloheptane-1-carboxylic acid Traditional Name: 1-[2-(4-chloro-3-piperidinosulfonyl-anilino)-2-keto-ethyl]cycloheptanecarboxylic acid Formula: C21H29ClN2O5S MolecularWeight: 456.98336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29ClN2O5S/c22-17-9-8-16(14-18(17)30(28,29)24-12-6-3-7-13-24)23-19(25)15-21(20(26)27)10-4-1-2-5-11-21/h8-9,14H,1-7,10-13,15H2,(H,23,25)(H,26,27)