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

Systemtic Name: N-[4-[4-[3-(2-methylpropylamino)-4-nitro-phenyl]piperazin-1-yl]sulfonylphenyl]ethanamide Openeye Name: N-[4-[4-[3-(isobutylamino)-4-nitro-phenyl]piperazin-1-yl]sulfonylphenyl]acetamide CAS Name: N-[4-[[4-[3-(2-methylpropylamino)-4-nitrophenyl]-1-piperazinyl]sulfonyl]phenyl]acetamide IUPAC Name: N-[4-[4-[3-(2-methylpropylamino)-4-nitrophenyl]piperazin-1-yl]sulfonylphenyl]acetamide Traditional Name: N-[4-[4-[3-(isobutylamino)-4-nitro-phenyl]piperazino]sulfonylphenyl]acetamide Formula: C22H29N5O5S MolecularWeight: 475.56116

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC1=C(C=CC(=C1)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)NC(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)CNC1=C(C=CC(=C1)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)NC(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C22H29N5O5S/c1-16(2)15-23-21-14-19(6-9-22(21)27(29)30)25-10-12-26(13-11-25)33(31,32)20-7-4-18(5-8-20)24-17(3)28/h4-9,14,16,23H,10-13,15H2,1-3H3,(H,24,28)