2-[[2-chloranyl-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-phenyl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[2-chloranyl-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-phenyl]carbonylamino]ethanoic acid Openeye Name: 2-[[2-chloro-5-[(3,5-dimethyl-1-piperidyl)sulfonyl]benzoyl]amino]acetic acid CAS Name: 2-[[[2-chloro-5-[(3,5-dimethyl-1-piperidinyl)sulfonyl]phenyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[2-chloro-5-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoyl]amino]acetic acid Traditional Name: 2-[[2-chloro-5-(3,5-dimethylpiperidino)sulfonyl-benzoyl]amino]acetic acid Formula: C16H21ClN2O5S MolecularWeight: 388.86634

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NCC(=O)O)C

Isomeric SMILES

CC1CC(CN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NCC(=O)O)C

InChI

InChI=1S/C16H21ClN2O5S/c1-10-5-11(2)9-19(8-10)25(23,24)12-3-4-14(17)13(6-12)16(22)18-7-15(20)21/h3-4,6,10-11H,5,7-9H2,1-2H3,(H,18,22)(H,20,21)