sodium 4-[(5-butyl-1,3,4-thiadiazol-2-yl)amino]-1-methoxy-1,4-bis(oxidanylidene)butane-2-sulfonate

Systemtic Name: sodium 4-[(5-butyl-1,3,4-thiadiazol-2-yl)amino]-1-methoxy-1,4-bis(oxidanylidene)butane-2-sulfonate Openeye Name: sodium 4-[(5-butyl-1,3,4-thiadiazol-2-yl)amino]-1-methoxy-1,4-dioxo-butane-2-sulfonate CAS Name: sodium 4-[(5-butyl-1,3,4-thiadiazol-2-yl)amino]-1-methoxy-1,4-dioxo-2-butanesulfonate IUPAC Name: sodium 4-[(5-butyl-1,3,4-thiadiazol-2-yl)amino]-1-methoxy-1,4-dioxobutane-2-sulfonate Traditional Name: sodium 4-[(5-butyl-1,3,4-thiadiazol-2-yl)amino]-1,4-diketo-1-methoxy-butane-2-sulfonate Formula: C11H16N3NaO6S2 MolecularWeight: 373.38101

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN=C(S1)NC(=O)CC(C(=O)OC)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCC1=NN=C(S1)NC(=O)CC(C(=O)OC)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C11H17N3O6S2.Na/c1-3-4-5-9-13-14-11(21-9)12-8(15)6-7(10(16)20-2)22(17,18)19;/h7H,3-6H2,1-2H3,(H,12,14,15)(H,17,18,19);/q;+1/p-1