N-methyl-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-N-(2-phenoxyethyl)aniline

Systemtic Name: N-methyl-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-N-(2-phenoxyethyl)aniline Openeye Name: N-methyl-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-N-(2-phenoxyethyl)aniline CAS Name: N-methyl-4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-nitro-N-(2-phenoxyethyl)aniline IUPAC Name: N-methyl-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-N-(2-phenoxyethyl)aniline Traditional Name: methyl-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]-(2-phenoxyethyl)amine Formula: C20H27N4O5S+ MolecularWeight: 435.51718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N(C)CCOC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N(C)CCOC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H26N4O5S/c1-21-10-12-23(13-11-21)30(27,28)18-8-9-19(20(16-18)24(25)26)22(2)14-15-29-17-6-4-3-5-7-17/h3-9,16H,10-15H2,1-2H3/p+1