2-(benzotriazol-1-yl)-1-[4-(phenylsulfonyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(benzotriazol-1-yl)-1-[4-(phenylsulfonyl)piperazin-1-yl]ethanone Openeye Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(benzotriazol-1-yl)ethanone CAS Name: 1-[4-(benzenesulfonyl)-1-piperazinyl]-2-(1-benzotriazolyl)ethanone IUPAC Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(benzotriazol-1-yl)ethanone Traditional Name: 2-(benzotriazol-1-yl)-1-(4-besylpiperazino)ethanone Formula: C18H19N5O3S MolecularWeight: 385.44016

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CN2C3=CC=CC=C3N=N2)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(=O)CN2C3=CC=CC=C3N=N2)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C18H19N5O3S/c24-18(14-23-17-9-5-4-8-16(17)19-20-23)21-10-12-22(13-11-21)27(25,26)15-6-2-1-3-7-15/h1-9H,10-14H2