N-[4-[4-[3-(2,2-dimethylpropylamino)-4-nitro-phenyl]piperazin-1-yl]sulfonylphenyl]ethanamide

Systemtic Name: N-[4-[4-[3-(2,2-dimethylpropylamino)-4-nitro-phenyl]piperazin-1-yl]sulfonylphenyl]ethanamide Openeye Name: N-[4-[4-[3-(2,2-dimethylpropylamino)-4-nitro-phenyl]piperazin-1-yl]sulfonylphenyl]acetamide CAS Name: N-[4-[[4-[3-(2,2-dimethylpropylamino)-4-nitrophenyl]-1-piperazinyl]sulfonyl]phenyl]acetamide IUPAC Name: N-[4-[4-[3-(2,2-dimethylpropylamino)-4-nitrophenyl]piperazin-1-yl]sulfonylphenyl]acetamide Traditional Name: N-[4-[4-[3-(neopentylamino)-4-nitro-phenyl]piperazino]sulfonylphenyl]acetamide Formula: C23H31N5O5S MolecularWeight: 489.58774

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NCC(C)(C)C

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NCC(C)(C)C

InChI

InChI=1S/C23H31N5O5S/c1-17(29)25-18-5-8-20(9-6-18)34(32,33)27-13-11-26(12-14-27)19-7-10-22(28(30)31)21(15-19)24-16-23(2,3)4/h5-10,15,24H,11-14,16H2,1-4H3,(H,25,29)