4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoic acid

Systemtic Name: 4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoic acid Openeye Name: 4-[(3,5-dimethyl-1-piperidyl)sulfonyl]benzoic acid CAS Name: 4-[(3,5-dimethyl-1-piperidinyl)sulfonyl]benzoic acid IUPAC Name: 4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoic acid Traditional Name: 4-(3,5-dimethylpiperidino)sulfonylbenzoic acid Formula: C14H19NO4S MolecularWeight: 297.36996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO4S/c1-10-7-11(2)9-15(8-10)20(18,19)13-5-3-12(4-6-13)14(16)17/h3-6,10-11H,7-9H2,1-2H3,(H,16,17)