N-[(2R)-1-methoxypropan-2-yl]-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-aniline

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(COC)NC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C)[N+](=O)[O-]

Isomeric SMILES

C[C@H](COC)NC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C)[N+](=O)[O-]

InChI

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