4-[2-(benzotriazol-1-yl)ethylsulfonyl]piperazin-2-one

Systemtic Name: 4-[2-(benzotriazol-1-yl)ethylsulfonyl]piperazin-2-one Openeye Name: 4-[2-(benzotriazol-1-yl)ethylsulfonyl]piperazin-2-one CAS Name: 4-[2-(1-benzotriazolyl)ethylsulfonyl]-2-piperazinone IUPAC Name: 4-[2-(benzotriazol-1-yl)ethylsulfonyl]piperazin-2-one Traditional Name: 4-[2-(benzotriazol-1-yl)ethylsulfonyl]piperazin-2-one Formula: C12H15N5O3S MolecularWeight: 309.3442

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)S(=O)(=O)CCN2C3=CC=CC=C3N=N2

Isomeric SMILES

C1CN(CC(=O)N1)S(=O)(=O)CCN2C3=CC=CC=C3N=N2

InChI

InChI=1S/C12H15N5O3S/c18-12-9-16(6-5-13-12)21(19,20)8-7-17-11-4-2-1-3-10(11)14-15-17/h1-4H,5-9H2,(H,13,18)