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

Systemtic Name: 2-(2,3-dihydro-1,4-benzoxazin-4-yl)-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-(2,3-dihydro-1,4-benzoxazin-4-yl)ethanone CAS Name: 2-(2,3-dihydro-1,4-benzoxazin-4-yl)-1-[4-(phenylmethyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-(2,3-dihydro-1,4-benzoxazin-4-yl)ethanone Traditional Name: 1-(4-benzylsulfonylpiperazino)-2-(2,3-dihydro-1,4-benzoxazin-4-yl)ethanone Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CN2CCOC3=CC=CC=C32)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(=O)CN2CCOC3=CC=CC=C32)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C21H25N3O4S/c25-21(16-23-14-15-28-20-9-5-4-8-19(20)23)22-10-12-24(13-11-22)29(26,27)17-18-6-2-1-3-7-18/h1-9H,10-17H2