N-(2-methyl-3-nitro-phenyl)-3-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]propanamide

Systemtic Name: N-(2-methyl-3-nitro-phenyl)-3-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]propanamide Openeye Name: N-(2-methyl-3-nitro-phenyl)-3-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]propanamide CAS Name: N-(2-methyl-3-nitrophenyl)-3-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]propanamide IUPAC Name: N-(2-methyl-3-nitrophenyl)-3-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]propanamide Traditional Name: N-(2-methyl-3-nitro-phenyl)-3-[4-(3-nitrophenyl)sulfonylpiperazino]propionamide Formula: C20H23N5O7S MolecularWeight: 477.49092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)CCN2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)CCN2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H23N5O7S/c1-15-18(6-3-7-19(15)25(29)30)21-20(26)8-9-22-10-12-23(13-11-22)33(31,32)17-5-2-4-16(14-17)24(27)28/h2-7,14H,8-13H2,1H3,(H,21,26)