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

Systemtic Name: 3-[4-(phenylcarbamoyl)piperidin-1-yl]propane-1-sulfonic acid Openeye Name: 3-[4-(phenylcarbamoyl)-1-piperidyl]propane-1-sulfonic acid CAS Name: 3-[4-[anilino(oxo)methyl]-1-piperidinyl]-1-propanesulfonic acid IUPAC Name: 3-[4-(phenylcarbamoyl)piperidin-1-yl]propane-1-sulfonic acid Traditional Name: 3-[4-(phenylcarbamoyl)piperidino]propane-1-sulfonic acid Formula: C15H22N2O4S MolecularWeight: 326.41118

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC=CC=C2)CCCS(=O)(=O)O

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC=CC=C2)CCCS(=O)(=O)O

InChI

InChI=1S/C15H22N2O4S/c18-15(16-14-5-2-1-3-6-14)13-7-10-17(11-8-13)9-4-12-22(19,20)21/h1-3,5-6,13H,4,7-12H2,(H,16,18)(H,19,20,21)