3-(4-tert-butylphenyl)-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]propan-1-one

Systemtic Name: 3-(4-tert-butylphenyl)-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]propan-1-one Openeye Name: 3-(4-tert-butylphenyl)-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]propan-1-one CAS Name: 3-(4-tert-butylphenyl)-1-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]-1-propanone IUPAC Name: 3-(4-tert-butylphenyl)-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]propan-1-one Traditional Name: 3-(4-tert-butylphenyl)-1-[4-(3-nitrophenyl)sulfonylpiperazino]propan-1-one Formula: C23H29N3O5S MolecularWeight: 459.55846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O5S/c1-23(2,3)19-10-7-18(8-11-19)9-12-22(27)24-13-15-25(16-14-24)32(30,31)21-6-4-5-20(17-21)26(28)29/h4-8,10-11,17H,9,12-16H2,1-3H3