N-[(2R)-1-methoxypropan-2-yl]-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzenesulfonamide

Systemtic Name: N-[(2R)-1-methoxypropan-2-yl]-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzenesulfonamide Openeye Name: N-[(1R)-2-methoxy-1-methyl-ethyl]-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzenesulfonamide CAS Name: N-[(2R)-1-methoxypropan-2-yl]-4-(4-methyl-1-piperazin-4-iumyl)-3-nitrobenzenesulfonamide IUPAC Name: N-[(2R)-1-methoxypropan-2-yl]-4-(4-methylpiperazin-4-ium-1-yl)-3-nitrobenzenesulfonamide Traditional Name: N-[(1R)-2-methoxy-1-methyl-ethyl]-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzenesulfonamide Formula: C15H25N4O5S+ MolecularWeight: 373.4478

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC)NS(=O)(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)C)[N+](=O)[O-]

Isomeric SMILES

C[C@H](COC)NS(=O)(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)C)[N+](=O)[O-]

InChI

InChI=1S/C15H24N4O5S/c1-12(11-24-3)16-25(22,23)13-4-5-14(15(10-13)19(20)21)18-8-6-17(2)7-9-18/h4-5,10,12,16H,6-9,11H2,1-3H3/p+1/t12-/m1/s1