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

Systemtic Name: 4-[[[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenyl]amino]methyl]phenol Openeye Name: 4-[[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-anilino]methyl]phenol CAS Name: 4-[[4-[(4-methyl-1-piperazinyl)sulfonyl]-2-nitroanilino]methyl]phenol IUPAC Name: 4-[[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitroanilino]methyl]phenol Traditional Name: 4-[[4-(4-methylpiperazino)sulfonyl-2-nitro-anilino]methyl]phenol Formula: C18H22N4O5S MolecularWeight: 406.45608

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCC3=CC=C(C=C3)O)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCC3=CC=C(C=C3)O)[N+](=O)[O-]

InChI

InChI=1S/C18H22N4O5S/c1-20-8-10-21(11-9-20)28(26,27)16-6-7-17(18(12-16)22(24)25)19-13-14-2-4-15(23)5-3-14/h2-7,12,19,23H,8-11,13H2,1H3