3-(1,3-benzodioxol-5-yl)-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]propan-1-one

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]propan-1-one Openeye Name: 3-(1,3-benzodioxol-5-yl)-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]propan-1-one CAS Name: 3-(1,3-benzodioxol-5-yl)-1-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]-1-propanone IUPAC Name: 3-(1,3-benzodioxol-5-yl)-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]propan-1-one Traditional Name: 3-(1,3-benzodioxol-5-yl)-1-[4-(3-nitrophenyl)sulfonylpiperazino]propan-1-one Formula: C20H21N3O7S MolecularWeight: 447.46164

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C(=O)CCC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

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