N-methyl-3-nitro-4-[4-(phenylmethyl)sulfonylpiperazin-1-yl]benzenesulfonamide

Systemtic Name: N-methyl-3-nitro-4-[4-(phenylmethyl)sulfonylpiperazin-1-yl]benzenesulfonamide Openeye Name: 4-(4-benzylsulfonylpiperazin-1-yl)-N-methyl-3-nitro-benzenesulfonamide CAS Name: N-methyl-3-nitro-4-[4-(phenylmethyl)sulfonyl-1-piperazinyl]benzenesulfonamide IUPAC Name: 4-(4-benzylsulfonylpiperazin-1-yl)-N-methyl-3-nitrobenzenesulfonamide Traditional Name: 4-(4-benzylsulfonylpiperazino)-N-methyl-3-nitro-benzenesulfonamide Formula: C18H22N4O6S2 MolecularWeight: 454.52048

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CNS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H22N4O6S2/c1-19-30(27,28)16-7-8-17(18(13-16)22(23)24)20-9-11-21(12-10-20)29(25,26)14-15-5-3-2-4-6-15/h2-8,13,19H,9-12,14H2,1H3