5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-N-(phenylmethyl)aniline

Systemtic Name: 5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-N-(phenylmethyl)aniline Openeye Name: N-benzyl-5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-aniline CAS Name: 5-(4-methylsulfonyl-1-piperazinyl)-2-nitro-N-(phenylmethyl)aniline IUPAC Name: N-benzyl-5-(4-methylsulfonylpiperazin-1-yl)-2-nitroaniline Traditional Name: benzyl-[5-(4-mesylpiperazino)-2-nitro-phenyl]amine Formula: C18H22N4O4S MolecularWeight: 390.45668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CC=CC=C3

InChI

InChI=1S/C18H22N4O4S/c1-27(25,26)21-11-9-20(10-12-21)16-7-8-18(22(23)24)17(13-16)19-14-15-5-3-2-4-6-15/h2-8,13,19H,9-12,14H2,1H3