2-(benzotriazol-1-yl)-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(benzotriazol-1-yl)-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-(benzotriazol-1-yl)-1-(4-benzylsulfonylpiperazin-1-yl)ethanone CAS Name: 2-(1-benzotriazolyl)-1-[4-(phenylmethyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-(benzotriazol-1-yl)-1-(4-benzylsulfonylpiperazin-1-yl)ethanone Traditional Name: 2-(benzotriazol-1-yl)-1-(4-benzylsulfonylpiperazino)ethanone Formula: C19H21N5O3S MolecularWeight: 399.46674

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CN2C3=CC=CC=C3N=N2)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(=O)CN2C3=CC=CC=C3N=N2)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C19H21N5O3S/c25-19(14-24-18-9-5-4-8-17(18)20-21-24)22-10-12-23(13-11-22)28(26,27)15-16-6-2-1-3-7-16/h1-9H,10-15H2