3-(1,3-benzodioxol-5-yl)-1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]propan-1-one

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]propan-1-one Openeye Name: 3-(1,3-benzodioxol-5-yl)-1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]propan-1-one CAS Name: 3-(1,3-benzodioxol-5-yl)-1-[4-(2-nitrophenyl)sulfonyl-1-piperazinyl]-1-propanone IUPAC Name: 3-(1,3-benzodioxol-5-yl)-1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]propan-1-one Traditional Name: 3-(1,3-benzodioxol-5-yl)-1-[4-(2-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(8-6-15-5-7-17-18(13-15)30-14-29-17)21-9-11-22(12-10-21)31(27,28)19-4-2-1-3-16(19)23(25)26/h1-5,7,13H,6,8-12,14H2