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

Systemtic Name: [4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-(4-phenylmethoxyphenyl)methanone Openeye Name: (4-benzyloxyphenyl)-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]methanone CAS Name: [4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]-(4-phenylmethoxyphenyl)methanone IUPAC Name: [4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]-(4-phenylmethoxyphenyl)methanone Traditional Name: (4-benzoxyphenyl)-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazino]methanone Formula: C25H25N3O6S MolecularWeight: 495.5475

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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=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C25H25N3O6S/c1-19-7-10-22(28(30)31)17-24(19)35(32,33)27-15-13-26(14-16-27)25(29)21-8-11-23(12-9-21)34-18-20-5-3-2-4-6-20/h2-12,17H,13-16,18H2,1H3