1-[4-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)piperazin-1-yl]-4-phenylsulfanyl-butan-1-one

Systemtic Name: 1-[4-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)piperazin-1-yl]-4-phenylsulfanyl-butan-1-one Openeye Name: 1-[4-(4-morpholinosulfonyl-2-nitro-phenyl)piperazin-1-yl]-4-phenylsulfanyl-butan-1-one CAS Name: 1-[4-[4-(4-morpholinylsulfonyl)-2-nitrophenyl]-1-piperazinyl]-4-(phenylthio)-1-butanone IUPAC Name: 1-[4-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)piperazin-1-yl]-4-phenylsulfanylbutan-1-one Traditional Name: 1-[4-(4-morpholinosulfonyl-2-nitro-phenyl)piperazino]-4-(phenylthio)butan-1-one Formula: C24H30N4O6S2 MolecularWeight: 534.6482

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-])C(=O)CCCSC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-])C(=O)CCCSC4=CC=CC=C4

InChI

InChI=1S/C24H30N4O6S2/c29-24(7-4-18-35-20-5-2-1-3-6-20)26-12-10-25(11-13-26)22-9-8-21(19-23(22)28(30)31)36(32,33)27-14-16-34-17-15-27/h1-3,5-6,8-9,19H,4,7,10-18H2