1-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-3-phenoxy-propan-2-ol

Systemtic Name: 1-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-3-phenoxy-propan-2-ol Openeye Name: 1-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-3-phenoxy-propan-2-ol CAS Name: 1-[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]-3-phenoxy-2-propanol IUPAC Name: 1-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]-3-phenoxypropan-2-ol Traditional Name: 1-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazino]-3-phenoxy-propan-2-ol Formula: C20H25N3O6S MolecularWeight: 435.494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)CC(COC3=CC=CC=C3)O

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)CC(COC3=CC=CC=C3)O

InChI

InChI=1S/C20H25N3O6S/c1-16-7-8-17(23(25)26)13-20(16)30(27,28)22-11-9-21(10-12-22)14-18(24)15-29-19-5-3-2-4-6-19/h2-8,13,18,24H,9-12,14-15H2,1H3