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

Systemtic Name: 5-(4-ethylsulfonylpiperazin-1-yl)-2-nitro-N-(phenylmethyl)aniline Openeye Name: N-benzyl-5-(4-ethylsulfonylpiperazin-1-yl)-2-nitro-aniline CAS Name: 5-(4-ethylsulfonyl-1-piperazinyl)-2-nitro-N-(phenylmethyl)aniline IUPAC Name: N-benzyl-5-(4-ethylsulfonylpiperazin-1-yl)-2-nitroaniline Traditional Name: benzyl-[5-(4-esylpiperazino)-2-nitro-phenyl]amine Formula: C19H24N4O4S MolecularWeight: 404.48326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N4O4S/c1-2-28(26,27)22-12-10-21(11-13-22)17-8-9-19(23(24)25)18(14-17)20-15-16-6-4-3-5-7-16/h3-9,14,20H,2,10-13,15H2,1H3