[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-(3-phenylimidazol-4-yl)methanone

Systemtic Name: [4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-(3-phenylimidazol-4-yl)methanone Openeye Name: [4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-(3-phenylimidazol-4-yl)methanone CAS Name: [4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]-(3-phenyl-4-imidazolyl)methanone IUPAC Name: [4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]-(3-phenylimidazol-4-yl)methanone Traditional Name: [4-(2-methyl-5-nitro-phenyl)sulfonylpiperazino]-(3-phenylimidazol-4-yl)methanone Formula: C21H21N5O5S MolecularWeight: 455.48694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C(=O)C3=CN=CN3C4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C(=O)C3=CN=CN3C4=CC=CC=C4

InChI

InChI=1S/C21H21N5O5S/c1-16-7-8-18(26(28)29)13-20(16)32(30,31)24-11-9-23(10-12-24)21(27)19-14-22-15-25(19)17-5-3-2-4-6-17/h2-8,13-15H,9-12H2,1H3