(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methanone

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(OC2=CC=CC=C2O1)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CC1C(OC2=CC=CC=C2O1)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O7S/c1-14-19(30-17-8-4-3-7-16(17)29-14)20(24)21-10-12-22(13-11-21)31(27,28)18-9-5-2-6-15(18)23(25)26/h2-9,14,19H,10-13H2,1H3