2-chloranyl-5-(3,5-dipropylpiperidin-1-yl)sulfonyl-benzoic acid

Systemtic Name: 2-chloranyl-5-(3,5-dipropylpiperidin-1-yl)sulfonyl-benzoic acid Openeye Name: 2-chloro-5-[(3,5-dipropyl-1-piperidyl)sulfonyl]benzoic acid CAS Name: 2-chloro-5-[(3,5-dipropyl-1-piperidinyl)sulfonyl]benzoic acid IUPAC Name: 2-chloro-5-(3,5-dipropylpiperidin-1-yl)sulfonylbenzoic acid Traditional Name: 2-chloro-5-(3,5-dipropylpiperidino)sulfonyl-benzoic acid Formula: C18H26ClNO4S MolecularWeight: 387.92134

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CC(CN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)O)CCC

Isomeric SMILES

CCCC1CC(CN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)O)CCC

InChI

InChI=1S/C18H26ClNO4S/c1-3-5-13-9-14(6-4-2)12-20(11-13)25(23,24)15-7-8-17(19)16(10-15)18(21)22/h7-8,10,13-14H,3-6,9,11-12H2,1-2H3,(H,21,22)