4-[4-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenyl]piperazin-1-yl]phenol

Systemtic Name: 4-[4-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenyl]piperazin-1-yl]phenol Openeye Name: 4-[4-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenyl]piperazin-1-yl]phenol CAS Name: 4-[4-[4-[(4-methyl-1-piperazinyl)sulfonyl]-2-nitrophenyl]-1-piperazinyl]phenol IUPAC Name: 4-[4-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitrophenyl]piperazin-1-yl]phenol Traditional Name: 4-[4-[4-(4-methylpiperazino)sulfonyl-2-nitro-phenyl]piperazino]phenol Formula: C21H27N5O5S MolecularWeight: 461.53458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N5O5S/c1-22-8-14-25(15-9-22)32(30,31)19-6-7-20(21(16-19)26(28)29)24-12-10-23(11-13-24)17-2-4-18(27)5-3-17/h2-7,16,27H,8-15H2,1H3