3-[4-(hydroxymethyl)piperidin-1-yl]-2-[(4-nitrophenyl)sulfonylamino]propanoic acid

Systemtic Name: 3-[4-(hydroxymethyl)piperidin-1-yl]-2-[(4-nitrophenyl)sulfonylamino]propanoic acid Openeye Name: 3-[4-(hydroxymethyl)-1-piperidyl]-2-[(4-nitrophenyl)sulfonylamino]propanoic acid CAS Name: 3-[4-(hydroxymethyl)-1-piperidinyl]-2-[(4-nitrophenyl)sulfonylamino]propanoic acid IUPAC Name: 3-[4-(hydroxymethyl)piperidin-1-yl]-2-[(4-nitrophenyl)sulfonylamino]propanoic acid Traditional Name: 3-(4-methylolpiperidino)-2-(nosylamino)propionic acid Formula: C15H21N3O7S MolecularWeight: 387.40814

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CO)CC(C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1CO)CC(C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H21N3O7S/c19-10-11-5-7-17(8-6-11)9-14(15(20)21)16-26(24,25)13-3-1-12(2-4-13)18(22)23/h1-4,11,14,16,19H,5-10H2,(H,20,21)