4-[4-(phenylmethyl)piperidin-1-yl]sulfonylbenzoic acid

Systemtic Name: 4-[4-(phenylmethyl)piperidin-1-yl]sulfonylbenzoic acid Openeye Name: 4-[(4-benzyl-1-piperidyl)sulfonyl]benzoic acid CAS Name: 4-[[4-(phenylmethyl)-1-piperidinyl]sulfonyl]benzoic acid IUPAC Name: 4-(4-benzylpiperidin-1-yl)sulfonylbenzoic acid Traditional Name: 4-(4-benzylpiperidino)sulfonylbenzoic acid Formula: C19H21NO4S MolecularWeight: 359.43934

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C19H21NO4S/c21-19(22)17-6-8-18(9-7-17)25(23,24)20-12-10-16(11-13-20)14-15-4-2-1-3-5-15/h1-9,16H,10-14H2,(H,21,22)