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

Systemtic Name: 5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-nitro-N-[(1R)-1-phenylethyl]aniline Openeye Name: 2-nitro-N-[(1R)-1-phenylethyl]-5-[4-(p-tolylsulfonyl)piperazin-1-yl]aniline CAS Name: 5-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-nitro-N-[(1R)-1-phenylethyl]aniline IUPAC Name: 5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-nitro-N-[(1R)-1-phenylethyl]aniline Traditional Name: [2-nitro-5-(4-tosylpiperazino)phenyl]-[(1R)-1-phenylethyl]amine Formula: C25H28N4O4S MolecularWeight: 480.57922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NC(C)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N[C@H](C)C4=CC=CC=C4

InChI

InChI=1S/C25H28N4O4S/c1-19-8-11-23(12-9-19)34(32,33)28-16-14-27(15-17-28)22-10-13-25(29(30)31)24(18-22)26-20(2)21-6-4-3-5-7-21/h3-13,18,20,26H,14-17H2,1-2H3/t20-/m1/s1