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

Systemtic Name: 4-(4-chlorophenyl)sulfanyl-1-[4-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)piperazin-1-yl]butan-1-one Openeye Name: 4-(4-chlorophenyl)sulfanyl-1-[4-(4-morpholinosulfonyl-2-nitro-phenyl)piperazin-1-yl]butan-1-one CAS Name: 4-[(4-chlorophenyl)thio]-1-[4-[4-(4-morpholinylsulfonyl)-2-nitrophenyl]-1-piperazinyl]-1-butanone IUPAC Name: 4-(4-chlorophenyl)sulfanyl-1-[4-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)piperazin-1-yl]butan-1-one Traditional Name: 4-[(4-chlorophenyl)thio]-1-[4-(4-morpholinosulfonyl-2-nitro-phenyl)piperazino]butan-1-one Formula: C24H29ClN4O6S2 MolecularWeight: 569.09326

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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=C(C=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C24H29ClN4O6S2/c25-19-3-5-20(6-4-19)36-17-1-2-24(30)27-11-9-26(10-12-27)22-8-7-21(18-23(22)29(31)32)37(33,34)28-13-15-35-16-14-28/h3-8,18H,1-2,9-17H2