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

Systemtic Name: 2-nitro-N-[(1R)-1-phenylethyl]-5-[4-(phenylsulfonyl)piperazin-1-yl]aniline Openeye Name: 5-[4-(benzenesulfonyl)piperazin-1-yl]-2-nitro-N-[(1R)-1-phenylethyl]aniline CAS Name: 5-[4-(benzenesulfonyl)-1-piperazinyl]-2-nitro-N-[(1R)-1-phenylethyl]aniline IUPAC Name: 5-[4-(benzenesulfonyl)piperazin-1-yl]-2-nitro-N-[(1R)-1-phenylethyl]aniline Traditional Name: [5-(4-besylpiperazino)-2-nitro-phenyl]-[(1R)-1-phenylethyl]amine Formula: C24H26N4O4S MolecularWeight: 466.55264

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)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C1=CC=CC=C1)NC2=C(C=CC(=C2)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H26N4O4S/c1-19(20-8-4-2-5-9-20)25-23-18-21(12-13-24(23)28(29)30)26-14-16-27(17-15-26)33(31,32)22-10-6-3-7-11-22/h2-13,18-19,25H,14-17H2,1H3/t19-/m1/s1