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

Systemtic Name: (4-methylphenyl)sulfonyl-[4-(4-nitrophenyl)piperazin-1-yl]methanone Openeye Name: [4-(4-nitrophenyl)piperazin-1-yl]-(p-tolylsulfonyl)methanone CAS Name: (4-methylphenyl)sulfonyl-[4-(4-nitrophenyl)-1-piperazinyl]methanone IUPAC Name: (4-methylphenyl)sulfonyl-[4-(4-nitrophenyl)piperazin-1-yl]methanone Traditional Name: [4-(4-nitrophenyl)piperazino]-tosyl-methanone Formula: C18H19N3O5S MolecularWeight: 389.42556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O5S/c1-14-2-8-17(9-3-14)27(25,26)18(22)20-12-10-19(11-13-20)15-4-6-16(7-5-15)21(23)24/h2-9H,10-13H2,1H3