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

Systemtic Name: 5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-N-[(2R)-4-phenylbutan-2-yl]aniline Openeye Name: N-[(1R)-1-methyl-3-phenyl-propyl]-5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-aniline CAS Name: 5-(4-methylsulfonyl-1-piperazinyl)-2-nitro-N-[(2R)-4-phenylbutan-2-yl]aniline IUPAC Name: 5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-N-[(2R)-4-phenylbutan-2-yl]aniline Traditional Name: [5-(4-mesylpiperazino)-2-nitro-phenyl]-[(1R)-1-methyl-3-phenyl-propyl]amine Formula: C21H28N4O4S MolecularWeight: 432.53642

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC2=C(C=CC(=C2)N3CCN(CC3)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

C[C@H](CCC1=CC=CC=C1)NC2=C(C=CC(=C2)N3CCN(CC3)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C21H28N4O4S/c1-17(8-9-18-6-4-3-5-7-18)22-20-16-19(10-11-21(20)25(26)27)23-12-14-24(15-13-23)30(2,28)29/h3-7,10-11,16-17,22H,8-9,12-15H2,1-2H3/t17-/m1/s1