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

Systemtic Name: 4-(4-ethylphenyl)sulfanyl-1-[4-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)piperazin-1-yl]butan-1-one Openeye Name: 4-(4-ethylphenyl)sulfanyl-1-[4-(4-morpholinosulfonyl-2-nitro-phenyl)piperazin-1-yl]butan-1-one CAS Name: 4-[(4-ethylphenyl)thio]-1-[4-[4-(4-morpholinylsulfonyl)-2-nitrophenyl]-1-piperazinyl]-1-butanone IUPAC Name: 4-(4-ethylphenyl)sulfanyl-1-[4-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)piperazin-1-yl]butan-1-one Traditional Name: 4-[(4-ethylphenyl)thio]-1-[4-(4-morpholinosulfonyl-2-nitro-phenyl)piperazino]butan-1-one Formula: C26H34N4O6S2 MolecularWeight: 562.70136

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)SCCCC(=O)N2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)SCCCC(=O)N2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C26H34N4O6S2/c1-2-21-5-7-22(8-6-21)37-19-3-4-26(31)28-13-11-27(12-14-28)24-10-9-23(20-25(24)30(32)33)38(34,35)29-15-17-36-18-16-29/h5-10,20H,2-4,11-19H2,1H3