[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone

Systemtic Name: [1-(4-methylphenyl)sulfonylpiperidin-4-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone Openeye Name: [4-(4-nitrophenyl)piperazin-1-yl]-[1-(p-tolylsulfonyl)-4-piperidyl]methanone CAS Name: [1-(4-methylphenyl)sulfonyl-4-piperidinyl]-[4-(4-nitrophenyl)-1-piperazinyl]methanone IUPAC Name: [1-(4-methylphenyl)sulfonylpiperidin-4-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone Traditional Name: [4-(4-nitrophenyl)piperazino]-(1-tosyl-4-piperidyl)methanone Formula: C23H28N4O5S MolecularWeight: 472.55722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H28N4O5S/c1-18-2-8-22(9-3-18)33(31,32)26-12-10-19(11-13-26)23(28)25-16-14-24(15-17-25)20-4-6-21(7-5-20)27(29)30/h2-9,19H,10-17H2,1H3