N-[4-[(2S)-4-(2,4-dinitrophenyl)-2-methyl-piperazin-1-yl]sulfonylphenyl]ethanamide

Systemtic Name: N-[4-[(2S)-4-(2,4-dinitrophenyl)-2-methyl-piperazin-1-yl]sulfonylphenyl]ethanamide Openeye Name: N-[4-[(2S)-4-(2,4-dinitrophenyl)-2-methyl-piperazin-1-yl]sulfonylphenyl]acetamide CAS Name: N-[4-[[(2S)-4-(2,4-dinitrophenyl)-2-methyl-1-piperazinyl]sulfonyl]phenyl]acetamide IUPAC Name: N-[4-[(2S)-4-(2,4-dinitrophenyl)-2-methylpiperazin-1-yl]sulfonylphenyl]acetamide Traditional Name: N-[4-[(2S)-4-(2,4-dinitrophenyl)-2-methyl-piperazino]sulfonylphenyl]acetamide Formula: C19H21N5O7S MolecularWeight: 463.46434

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)C)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CN(CCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)C)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H21N5O7S/c1-13-12-21(18-8-5-16(23(26)27)11-19(18)24(28)29)9-10-22(13)32(30,31)17-6-3-15(4-7-17)20-14(2)25/h3-8,11,13H,9-10,12H2,1-2H3,(H,20,25)/t13-/m0/s1