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

Systemtic Name: 2-nitro-N-[(1R)-1-phenylethyl]-5-[4-(phenylmethyl)sulfonylpiperazin-1-yl]aniline Openeye Name: 5-(4-benzylsulfonylpiperazin-1-yl)-2-nitro-N-[(1R)-1-phenylethyl]aniline CAS Name: 2-nitro-N-[(1R)-1-phenylethyl]-5-[4-(phenylmethyl)sulfonyl-1-piperazinyl]aniline IUPAC Name: 5-(4-benzylsulfonylpiperazin-1-yl)-2-nitro-N-[(1R)-1-phenylethyl]aniline Traditional Name: [5-(4-benzylsulfonylpiperazino)-2-nitro-phenyl]-[(1R)-1-phenylethyl]amine Formula: C25H28N4O4S MolecularWeight: 480.57922

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC2=C(C=CC(=C2)N3CCN(CC3)S(=O)(=O)CC4=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)CC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H28N4O4S/c1-20(22-10-6-3-7-11-22)26-24-18-23(12-13-25(24)29(30)31)27-14-16-28(17-15-27)34(32,33)19-21-8-4-2-5-9-21/h2-13,18,20,26H,14-17,19H2,1H3/t20-/m1/s1