5-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-pyrrolidin-2-yl-benzoic acid

Systemtic Name: 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-pyrrolidin-2-yl-benzoic acid Openeye Name: 5-[(3,5-dimethyl-1-piperidyl)sulfonyl]-2-pyrrolidin-2-yl-benzoic acid CAS Name: 5-[(3,5-dimethyl-1-piperidinyl)sulfonyl]-2-(2-pyrrolidinyl)benzoic acid IUPAC Name: 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-pyrrolidin-2-ylbenzoic acid Traditional Name: 5-(3,5-dimethylpiperidino)sulfonyl-2-pyrrolidin-2-yl-benzoic acid Formula: C18H26N2O4S MolecularWeight: 366.47504

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC(=C(C=C2)C3CCCN3)C(=O)O)C

Isomeric SMILES

CC1CC(CN(C1)S(=O)(=O)C2=CC(=C(C=C2)C3CCCN3)C(=O)O)C

InChI

InChI=1S/C18H26N2O4S/c1-12-8-13(2)11-20(10-12)25(23,24)14-5-6-15(16(9-14)18(21)22)17-4-3-7-19-17/h5-6,9,12-13,17,19H,3-4,7-8,10-11H2,1-2H3,(H,21,22)