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

Systemtic Name: N-[(2R)-4-(furan-2-yl)butan-2-yl]-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-aniline Openeye Name: N-[(1R)-3-(2-furyl)-1-methyl-propyl]-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-aniline CAS Name: N-[(2R)-4-(2-furanyl)butan-2-yl]-4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-nitroaniline IUPAC Name: N-[(2R)-4-(furan-2-yl)butan-2-yl]-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitroaniline Traditional Name: [(1R)-3-(2-furyl)-1-methyl-propyl]-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]amine Formula: C19H27N4O5S+ MolecularWeight: 423.50648

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CO1)NC2=C(C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C)[N+](=O)[O-]

Isomeric SMILES

C[C@H](CCC1=CC=CO1)NC2=C(C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C19H26N4O5S/c1-15(5-6-16-4-3-13-28-16)20-18-8-7-17(14-19(18)23(24)25)29(26,27)22-11-9-21(2)10-12-22/h3-4,7-8,13-15,20H,5-6,9-12H2,1-2H3/p+1/t15-/m1/s1