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

Systemtic Name: N-[(R)-(1-methylimidazol-2-yl)-phenyl-methyl]-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-aniline Openeye Name: N-[(R)-(1-methylimidazol-2-yl)-phenyl-methyl]-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-aniline CAS Name: N-[(R)-(1-methyl-2-imidazolyl)-phenylmethyl]-4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-nitroaniline IUPAC Name: N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitroaniline Traditional Name: [(R)-(1-methylimidazol-2-yl)-phenyl-methyl]-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]amine Formula: C22H27N6O4S+ MolecularWeight: 471.55258

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NC(C3=CC=CC=C3)C4=NC=CN4C)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N[C@H](C3=CC=CC=C3)C4=NC=CN4C)[N+](=O)[O-]

InChI

InChI=1S/C22H26N6O4S/c1-25-12-14-27(15-13-25)33(31,32)18-8-9-19(20(16-18)28(29)30)24-21(17-6-4-3-5-7-17)22-23-10-11-26(22)2/h3-11,16,21,24H,12-15H2,1-2H3/p+1/t21-/m1/s1