(3S)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidin-1-ium-3-sulfonamide

Systemtic Name: (3S)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidin-1-ium-3-sulfonamide Openeye Name: (3S)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidin-1-ium-3-sulfonamide CAS Name: (3S)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-piperidin-1-iumsulfonamide IUPAC Name: (3S)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidin-1-ium-3-sulfonamide Traditional Name: (3S)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidin-1-ium-3-sulfonamide Formula: C14H21N2O4S+ MolecularWeight: 313.39254

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH2+]C1)S(=O)(=O)NC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

C1C[C@@H](C[NH2+]C1)S(=O)(=O)NC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C14H20N2O4S/c17-21(18,12-3-1-6-15-10-12)16-11-4-5-13-14(9-11)20-8-2-7-19-13/h4-5,9,12,15-16H,1-3,6-8,10H2/p+1/t12-/m0/s1