[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(3-nitro-4-piperidin-1-yl-phenyl)methanone

Systemtic Name: [4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(3-nitro-4-piperidin-1-yl-phenyl)methanone Openeye Name: [3-nitro-4-(1-piperidyl)phenyl]-[4-(p-tolylsulfonyl)piperazin-1-yl]methanone CAS Name: [4-(4-methylphenyl)sulfonyl-1-piperazinyl]-[3-nitro-4-(1-piperidinyl)phenyl]methanone IUPAC Name: [4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(3-nitro-4-piperidin-1-ylphenyl)methanone Traditional Name: (3-nitro-4-piperidino-phenyl)-(4-tosylpiperazino)methanone Formula: C23H28N4O5S MolecularWeight: 472.55722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C23H28N4O5S/c1-18-5-8-20(9-6-18)33(31,32)26-15-13-25(14-16-26)23(28)19-7-10-21(22(17-19)27(29)30)24-11-3-2-4-12-24/h5-10,17H,2-4,11-16H2,1H3