N-[(1S)-1-(2-chlorophenyl)ethyl]-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-aniline

Systemtic Name: N-[(1S)-1-(2-chlorophenyl)ethyl]-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-aniline Openeye Name: N-[(1S)-1-(2-chlorophenyl)ethyl]-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-aniline CAS Name: N-[(1S)-1-(2-chlorophenyl)ethyl]-4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-nitroaniline IUPAC Name: N-[(1S)-1-(2-chlorophenyl)ethyl]-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitroaniline Traditional Name: [(1S)-1-(2-chlorophenyl)ethyl]-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]amine Formula: C19H24ClN4O4S+ MolecularWeight: 439.93626

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1Cl)NC2=C(C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C1=CC=CC=C1Cl)NC2=C(C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C19H23ClN4O4S/c1-14(16-5-3-4-6-17(16)20)21-18-8-7-15(13-19(18)24(25)26)29(27,28)23-11-9-22(2)10-12-23/h3-8,13-14,21H,9-12H2,1-2H3/p+1/t14-/m0/s1