2-[2-(benzotriazol-1-yl)ethylsulfonyl-ethyl-amino]-N-[1,1-bis(oxidanylidene)thiolan-3-yl]ethanamide

Systemtic Name: 2-[2-(benzotriazol-1-yl)ethylsulfonyl-ethyl-amino]-N-[1,1-bis(oxidanylidene)thiolan-3-yl]ethanamide Openeye Name: 2-[2-(benzotriazol-1-yl)ethylsulfonyl-ethyl-amino]-N-(1,1-dioxothiolan-3-yl)acetamide CAS Name: 2-[2-(1-benzotriazolyl)ethylsulfonyl-ethylamino]-N-(1,1-dioxo-3-thiolanyl)acetamide IUPAC Name: 2-[2-(benzotriazol-1-yl)ethylsulfonyl-ethylamino]-N-(1,1-dioxothiolan-3-yl)acetamide Traditional Name: 2-[2-(benzotriazol-1-yl)ethylsulfonyl-ethyl-amino]-N-(1,1-diketothiolan-3-yl)acetamide Formula: C16H23N5O5S2 MolecularWeight: 429.51432

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)NC1CCS(=O)(=O)C1)S(=O)(=O)CCN2C3=CC=CC=C3N=N2

Isomeric SMILES

CCN(CC(=O)NC1CCS(=O)(=O)C1)S(=O)(=O)CCN2C3=CC=CC=C3N=N2

InChI

InChI=1S/C16H23N5O5S2/c1-2-20(11-16(22)17-13-7-9-27(23,24)12-13)28(25,26)10-8-21-15-6-4-3-5-14(15)18-19-21/h3-6,13H,2,7-12H2,1H3,(H,17,22)