4-(4-tert-butylphenoxy)-1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]butan-1-one

Systemtic Name: 4-(4-tert-butylphenoxy)-1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]butan-1-one Openeye Name: 4-(4-tert-butylphenoxy)-1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]butan-1-one CAS Name: 4-(4-tert-butylphenoxy)-1-[4-(2-nitrophenyl)sulfonyl-1-piperazinyl]-1-butanone IUPAC Name: 4-(4-tert-butylphenoxy)-1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]butan-1-one Traditional Name: 4-(4-tert-butylphenoxy)-1-[4-(2-nitrophenyl)sulfonylpiperazino]butan-1-one Formula: C24H31N3O6S MolecularWeight: 489.58444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31N3O6S/c1-24(2,3)19-10-12-20(13-11-19)33-18-6-9-23(28)25-14-16-26(17-15-25)34(31,32)22-8-5-4-7-21(22)27(29)30/h4-5,7-8,10-13H,6,9,14-18H2,1-3H3