[4-[(4-methylphenyl)methylsulfonyl]-3-nitro-phenyl]-(4-phenylpiperazin-1-yl)methanone

Systemtic Name: [4-[(4-methylphenyl)methylsulfonyl]-3-nitro-phenyl]-(4-phenylpiperazin-1-yl)methanone Openeye Name: [3-nitro-4-(p-tolylmethylsulfonyl)phenyl]-(4-phenylpiperazin-1-yl)methanone CAS Name: [4-[(4-methylphenyl)methylsulfonyl]-3-nitrophenyl]-(4-phenyl-1-piperazinyl)methanone IUPAC Name: [4-[(4-methylphenyl)methylsulfonyl]-3-nitrophenyl]-(4-phenylpiperazin-1-yl)methanone Traditional Name: [4-(4-methylbenzyl)sulfonyl-3-nitro-phenyl]-(4-phenylpiperazino)methanone Formula: C25H25N3O5S MolecularWeight: 479.5481

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CS(=O)(=O)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CS(=O)(=O)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H25N3O5S/c1-19-7-9-20(10-8-19)18-34(32,33)24-12-11-21(17-23(24)28(30)31)25(29)27-15-13-26(14-16-27)22-5-3-2-4-6-22/h2-12,17H,13-16,18H2,1H3