sodium 3-[2-(butylamino)-2-oxidanylidene-ethyl]-2-oxidanylidene-4-propyl-azetidine-3-sulfonate

Systemtic Name: sodium 3-[2-(butylamino)-2-oxidanylidene-ethyl]-2-oxidanylidene-4-propyl-azetidine-3-sulfonate Openeye Name: sodium 3-[2-(butylamino)-2-oxo-ethyl]-2-oxo-4-propyl-azetidine-3-sulfonate CAS Name: sodium 3-[2-(butylamino)-2-oxoethyl]-2-oxo-4-propyl-3-azetidinesulfonate IUPAC Name: sodium 3-[2-(butylamino)-2-oxoethyl]-2-oxo-4-propylazetidine-3-sulfonate Traditional Name: sodium 3-[2-(butylamino)-2-keto-ethyl]-2-keto-4-propyl-azetidine-3-sulfonate Formula: C12H21N2NaO5S MolecularWeight: 328.36031

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CC1(C(NC1=O)CCC)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCNC(=O)CC1(C(NC1=O)CCC)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C12H22N2O5S.Na/c1-3-5-7-13-10(15)8-12(20(17,18)19)9(6-4-2)14-11(12)16;/h9H,3-8H2,1-2H3,(H,13,15)(H,14,16)(H,17,18,19);/q;+1/p-1