(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(1-ethylpiperidin-1-ium-4-yl)-3-methyl-butanamide

Systemtic Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(1-ethylpiperidin-1-ium-4-yl)-3-methyl-butanamide Openeye Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(1-ethylpiperidin-1-ium-4-yl)-3-methyl-butanamide CAS Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(1-ethyl-4-piperidin-1-iumyl)-3-methylbutanamide IUPAC Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(1-ethylpiperidin-1-ium-4-yl)-3-methylbutanamide Traditional Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(1-ethylpiperidin-1-ium-4-yl)-3-methyl-butyramide Formula: C20H32N3O5S+ MolecularWeight: 426.55018

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC(CC1)NC(=O)C(C(C)C)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC[NH+]1CCC(CC1)NC(=O)[C@H](C(C)C)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C20H31N3O5S/c1-4-23-9-7-15(8-10-23)21-20(24)19(14(2)3)22-29(25,26)16-5-6-17-18(13-16)28-12-11-27-17/h5-6,13-15,19,22H,4,7-12H2,1-3H3,(H,21,24)/p+1/t19-/m0/s1