1-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]-4-naphthalen-1-yloxy-butan-1-one

Systemtic Name: 1-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]-4-naphthalen-1-yloxy-butan-1-one Openeye Name: 1-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]-4-(1-naphthyloxy)butan-1-one CAS Name: 1-[4-(4-methylsulfonyl-2-nitrophenyl)-1-piperazinyl]-4-(1-naphthalenyloxy)-1-butanone IUPAC Name: 1-[4-(4-methylsulfonyl-2-nitrophenyl)piperazin-1-yl]-4-naphthalen-1-yloxybutan-1-one Traditional Name: 1-[4-(4-mesyl-2-nitro-phenyl)piperazino]-4-(1-naphthoxy)butan-1-one Formula: C25H27N3O6S MolecularWeight: 497.56338

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)CCCOC3=CC=CC4=CC=CC=C43)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)CCCOC3=CC=CC4=CC=CC=C43)[N+](=O)[O-]

InChI

InChI=1S/C25H27N3O6S/c1-35(32,33)20-11-12-22(23(18-20)28(30)31)26-13-15-27(16-14-26)25(29)10-5-17-34-24-9-4-7-19-6-2-3-8-21(19)24/h2-4,6-9,11-12,18H,5,10,13-17H2,1H3