2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[4-(3-nitrophenyl)sulfonylpiperazino]ethanone Formula: C20H21N3O7S MolecularWeight: 447.46164

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CC2=CC3=C(C=C2)OCCO3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C(=O)CC2=CC3=C(C=C2)OCCO3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O7S/c24-20(13-15-4-5-18-19(12-15)30-11-10-29-18)21-6-8-22(9-7-21)31(27,28)17-3-1-2-16(14-17)23(25)26/h1-5,12,14H,6-11,13H2