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

Systemtic Name: N-[(1R)-1-(4-methoxyphenyl)-2-methyl-propyl]-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-aniline Openeye Name: N-[(1R)-1-(4-methoxyphenyl)-2-methyl-propyl]-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-aniline CAS Name: N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]-4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-nitroaniline IUPAC Name: N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitroaniline Traditional Name: [(1R)-1-(4-methoxyphenyl)-2-methyl-propyl]-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]amine Formula: C22H31N4O5S+ MolecularWeight: 463.57034

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC=C(C=C1)OC)NC2=C(C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)[C@H](C1=CC=C(C=C1)OC)NC2=C(C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C22H30N4O5S/c1-16(2)22(17-5-7-18(31-4)8-6-17)23-20-10-9-19(15-21(20)26(27)28)32(29,30)25-13-11-24(3)12-14-25/h5-10,15-16,22-23H,11-14H2,1-4H3/p+1/t22-/m1/s1