1-methyl-4-[2-nitro-5-[4-(phenylsulfonyl)piperazin-1-yl]phenyl]piperazine

Systemtic Name: 1-methyl-4-[2-nitro-5-[4-(phenylsulfonyl)piperazin-1-yl]phenyl]piperazine Openeye Name: 1-[5-[4-(benzenesulfonyl)piperazin-1-yl]-2-nitro-phenyl]-4-methyl-piperazine CAS Name: 1-[5-[4-(benzenesulfonyl)-1-piperazinyl]-2-nitrophenyl]-4-methylpiperazine IUPAC Name: 1-[5-[4-(benzenesulfonyl)piperazin-1-yl]-2-nitrophenyl]-4-methylpiperazine Traditional Name: 1-[5-(4-besylpiperazino)-2-nitro-phenyl]-4-methyl-piperazine Formula: C21H27N5O4S MolecularWeight: 445.53518

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=CC(=C2)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2=C(C=CC(=C2)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H27N5O4S/c1-22-9-11-24(12-10-22)21-17-18(7-8-20(21)26(27)28)23-13-15-25(16-14-23)31(29,30)19-5-3-2-4-6-19/h2-8,17H,9-16H2,1H3