3-[4-(phenylcarbamoyl)piperidin-1-yl]sulfonylbenzoic acid

Systemtic Name: 3-[4-(phenylcarbamoyl)piperidin-1-yl]sulfonylbenzoic acid Openeye Name: 3-[[4-(phenylcarbamoyl)-1-piperidyl]sulfonyl]benzoic acid CAS Name: 3-[[4-[anilino(oxo)methyl]-1-piperidinyl]sulfonyl]benzoic acid IUPAC Name: 3-[4-(phenylcarbamoyl)piperidin-1-yl]sulfonylbenzoic acid Traditional Name: 3-[4-(phenylcarbamoyl)piperidino]sulfonylbenzoic acid Formula: C19H20N2O5S MolecularWeight: 388.4375

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)C(=O)O

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C19H20N2O5S/c22-18(20-16-6-2-1-3-7-16)14-9-11-21(12-10-14)27(25,26)17-8-4-5-15(13-17)19(23)24/h1-8,13-14H,9-12H2,(H,20,22)(H,23,24)