2,4-bis(bromanyl)-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-benzoic acid

Systemtic Name: 2,4-bis(bromanyl)-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-benzoic acid Openeye Name: 2,4-dibromo-5-[(3,5-dimethyl-1-piperidyl)sulfonyl]benzoic acid CAS Name: 2,4-dibromo-5-[(3,5-dimethyl-1-piperidinyl)sulfonyl]benzoic acid IUPAC Name: 2,4-dibromo-5-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoic acid Traditional Name: 2,4-dibromo-5-(3,5-dimethylpiperidino)sulfonyl-benzoic acid Formula: C14H17Br2NO4S MolecularWeight: 455.16208

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=C(C=C(C(=C2)C(=O)O)Br)Br)C

Isomeric SMILES

CC1CC(CN(C1)S(=O)(=O)C2=C(C=C(C(=C2)C(=O)O)Br)Br)C

InChI

InChI=1S/C14H17Br2NO4S/c1-8-3-9(2)7-17(6-8)22(20,21)13-4-10(14(18)19)11(15)5-12(13)16/h4-5,8-9H,3,6-7H2,1-2H3,(H,18,19)