1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-(2-methyl-3-nitro-phenyl)sulfonyl-piperazine

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-(2-methyl-3-nitro-phenyl)sulfonyl-piperazine Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-(2-methyl-3-nitro-phenyl)sulfonyl-piperazine CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-(2-methyl-3-nitrophenyl)sulfonylpiperazine IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-(2-methyl-3-nitrophenyl)sulfonylpiperazine Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-(2-methyl-3-nitro-phenyl)sulfonyl-piperazine Formula: C20H23N3O6S MolecularWeight: 433.47812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1S(=O)(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCCO4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC=C1S(=O)(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCCO4)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O6S/c1-15-17(23(24)25)3-2-4-20(15)30(26,27)22-9-7-21(8-10-22)14-16-5-6-18-19(13-16)29-12-11-28-18/h2-6,13H,7-12,14H2,1H3