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

Systemtic Name: N-ethyl-5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-aniline Openeye Name: N-ethyl-5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-aniline CAS Name: N-ethyl-5-(4-methylsulfonyl-1-piperazinyl)-2-nitroaniline IUPAC Name: N-ethyl-5-(4-methylsulfonylpiperazin-1-yl)-2-nitroaniline Traditional Name: ethyl-[5-(4-mesylpiperazino)-2-nitro-phenyl]amine Formula: C13H20N4O4S MolecularWeight: 328.3873

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=CC(=C1)N2CCN(CC2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCNC1=C(C=CC(=C1)N2CCN(CC2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C13H20N4O4S/c1-3-14-12-10-11(4-5-13(12)17(18)19)15-6-8-16(9-7-15)22(2,20)21/h4-5,10,14H,3,6-9H2,1-2H3