4-[[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]amino]cyclohexan-1-ol

Systemtic Name: 4-[[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]amino]cyclohexan-1-ol Openeye Name: 4-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-anilino]cyclohexanol CAS Name: 4-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-nitroanilino]-1-cyclohexanol IUPAC Name: 4-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitroanilino]cyclohexan-1-ol Traditional Name: 4-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-anilino]cyclohexanol Formula: C17H27N4O5S+ MolecularWeight: 399.48508

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NC3CCC(CC3)O)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NC3CCC(CC3)O)[N+](=O)[O-]

InChI

InChI=1S/C17H26N4O5S/c1-19-8-10-20(11-9-19)27(25,26)15-6-7-16(17(12-15)21(23)24)18-13-2-4-14(22)5-3-13/h6-7,12-14,18,22H,2-5,8-11H2,1H3/p+1