3-(3-phenylpropylsulfonyl)-4-piperidin-1-yl-benzoic acid

Systemtic Name: 3-(3-phenylpropylsulfonyl)-4-piperidin-1-yl-benzoic acid Openeye Name: 3-(3-phenylpropylsulfonyl)-4-(1-piperidyl)benzoic acid CAS Name: 3-(3-phenylpropylsulfonyl)-4-(1-piperidinyl)benzoic acid IUPAC Name: 3-(3-phenylpropylsulfonyl)-4-piperidin-1-ylbenzoic acid Traditional Name: 3-(3-phenylpropylsulfonyl)-4-piperidino-benzoic acid Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)O)S(=O)(=O)CCCC3=CC=CC=C3

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)O)S(=O)(=O)CCCC3=CC=CC=C3

InChI

InChI=1S/C21H25NO4S/c23-21(24)18-11-12-19(22-13-5-2-6-14-22)20(16-18)27(25,26)15-7-10-17-8-3-1-4-9-17/h1,3-4,8-9,11-12,16H,2,5-7,10,13-15H2,(H,23,24)