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

Systemtic Name: N-[(1R)-1-(4-chlorophenyl)propyl]-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-aniline Openeye Name: N-[(1R)-1-(4-chlorophenyl)propyl]-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-aniline CAS Name: N-[(1R)-1-(4-chlorophenyl)propyl]-4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-nitroaniline IUPAC Name: N-[(1R)-1-(4-chlorophenyl)propyl]-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitroaniline Traditional Name: [(1R)-1-(4-chlorophenyl)propyl]-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]amine Formula: C20H26ClN4O4S+ MolecularWeight: 453.96284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25ClN4O4S/c1-3-18(15-4-6-16(21)7-5-15)22-19-9-8-17(14-20(19)25(26)27)30(28,29)24-12-10-23(2)11-13-24/h4-9,14,18,22H,3,10-13H2,1-2H3/p+1/t18-/m1/s1