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

Systemtic Name: 5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-nitro-N-[(2R)-4-phenylbutan-2-yl]aniline Openeye Name: N-[(1R)-1-methyl-3-phenyl-propyl]-2-nitro-5-[4-(p-tolylsulfonyl)piperazin-1-yl]aniline CAS Name: 5-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-nitro-N-[(2R)-4-phenylbutan-2-yl]aniline IUPAC Name: 5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-nitro-N-[(2R)-4-phenylbutan-2-yl]aniline Traditional Name: [(1R)-1-methyl-3-phenyl-propyl]-[2-nitro-5-(4-tosylpiperazino)phenyl]amine Formula: C27H32N4O4S MolecularWeight: 508.63238

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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)CCC4=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)CCC4=CC=CC=C4

InChI

InChI=1S/C27H32N4O4S/c1-21-8-13-25(14-9-21)36(34,35)30-18-16-29(17-19-30)24-12-15-27(31(32)33)26(20-24)28-22(2)10-11-23-6-4-3-5-7-23/h3-9,12-15,20,22,28H,10-11,16-19H2,1-2H3/t22-/m1/s1