5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-N-[(1R)-1-phenylethyl]aniline

Systemtic Name: 5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-N-[(1R)-1-phenylethyl]aniline Openeye Name: 5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-N-[(1R)-1-phenylethyl]aniline CAS Name: 5-(4-methylsulfonyl-1-piperazinyl)-2-nitro-N-[(1R)-1-phenylethyl]aniline IUPAC Name: 5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-N-[(1R)-1-phenylethyl]aniline Traditional Name: [5-(4-mesylpiperazino)-2-nitro-phenyl]-[(1R)-1-phenylethyl]amine Formula: C19H24N4O4S MolecularWeight: 404.48326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC2=C(C=CC(=C2)N3CCN(CC3)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C1=CC=CC=C1)NC2=C(C=CC(=C2)N3CCN(CC3)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C19H24N4O4S/c1-15(16-6-4-3-5-7-16)20-18-14-17(8-9-19(18)23(24)25)21-10-12-22(13-11-21)28(2,26)27/h3-9,14-15,20H,10-13H2,1-2H3/t15-/m1/s1