2-(1,2-benzoxazol-3-yl)-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(1,2-benzoxazol-3-yl)-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-(1,2-benzoxazol-3-yl)-1-(4-benzylsulfonylpiperazin-1-yl)ethanone CAS Name: 2-(1,2-benzoxazol-3-yl)-1-[4-(phenylmethyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-(1,2-benzoxazol-3-yl)-1-(4-benzylsulfonylpiperazin-1-yl)ethanone Traditional Name: 1-(4-benzylsulfonylpiperazino)-2-indoxazen-3-yl-ethanone Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CC2=NOC3=CC=CC=C32)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(=O)CC2=NOC3=CC=CC=C32)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C20H21N3O4S/c24-20(14-18-17-8-4-5-9-19(17)27-21-18)22-10-12-23(13-11-22)28(25,26)15-16-6-2-1-3-7-16/h1-9H,10-15H2