3-[(2S)-2-piperidin-1-ylcarbonyl-2,3-dihydro-1,4-benzoxazin-4-yl]propane-1-sulfonic acid

Systemtic Name: 3-[(2S)-2-piperidin-1-ylcarbonyl-2,3-dihydro-1,4-benzoxazin-4-yl]propane-1-sulfonic acid Openeye Name: 3-[(2S)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]propane-1-sulfonic acid CAS Name: 3-[(2S)-2-[oxo(1-piperidinyl)methyl]-2,3-dihydro-1,4-benzoxazin-4-yl]-1-propanesulfonic acid IUPAC Name: 3-[(2S)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]propane-1-sulfonic acid Traditional Name: 3-[(2S)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]propane-1-sulfonic acid Formula: C17H24N2O5S MolecularWeight: 368.44786

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2CN(C3=CC=CC=C3O2)CCCS(=O)(=O)O

Isomeric SMILES

C1CCN(CC1)C(=O)[C@@H]2CN(C3=CC=CC=C3O2)CCCS(=O)(=O)O

InChI

InChI=1S/C17H24N2O5S/c20-17(18-9-4-1-5-10-18)16-13-19(11-6-12-25(21,22)23)14-7-2-3-8-15(14)24-16/h2-3,7-8,16H,1,4-6,9-13H2,(H,21,22,23)/t16-/m0/s1