2-(4-tert-butylphenoxy)-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]propan-1-one

Systemtic Name: 2-(4-tert-butylphenoxy)-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]propan-1-one Openeye Name: 2-(4-tert-butylphenoxy)-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]propan-1-one CAS Name: 2-(4-tert-butylphenoxy)-1-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]-1-propanone IUPAC Name: 2-(4-tert-butylphenoxy)-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]propan-1-one Traditional Name: 2-(4-tert-butylphenoxy)-1-[4-(3-nitrophenyl)sulfonylpiperazino]propan-1-one Formula: C23H29N3O6S MolecularWeight: 475.55786

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])OC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])OC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C23H29N3O6S/c1-17(32-20-10-8-18(9-11-20)23(2,3)4)22(27)24-12-14-25(15-13-24)33(30,31)21-7-5-6-19(16-21)26(28)29/h5-11,16-17H,12-15H2,1-4H3